A0A060XP23_ONCMY Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A060XP23, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 335 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	33	Very low	225 Å²	225	156.7 Å²	156.7	100%	1.108	80%	0.8	S	S	*	*				0	111.9	0	-72.2	162.9	173.3	0	0	105.9
2	M	33	Very low	32.3	Very low	167 Å²	167	150 Å²	150	82%	0.823	80%	0.799	S	S	*	*				66.5	136.3	102.2	-70.4	167.2	167.1	0	0	112.7
3	Q	30.7	Very low	32.1	Very low	161 Å²	161	152.5 Å²	152.5	75%	0.752	81%	0.81	S	S	*	*			cis	-174.4	148.8	-16.2	-118.3	169.7	1.6	0	0	103.3
4	N	30.4	Very low	31.8	Very low	134 Å²	134	155.4 Å²	155.4	72%	0.717	82%	0.817	S	S	*	*				39.7	141.2	109.3	-69.3	-7.2	0	0	0	115.6
5	K	33.1	Very low	31.7	Very low	156 Å²	156	158.3 Å²	158.3	68%	0.678	81%	0.813	S	S	*	*			cis	-166.5	-175	28	-127	157.9	160.5	-121	0	107.3
6	E	32.6	Very low	31.6	Very low	145 Å²	145	156.8 Å²	156.8	68%	0.678	82%	0.816	S	S	*	*			cis	-150.1	-161.8	7.6	-163.3	92.5	-123.1	0	0	109
7	N	30.8	Very low	31.4	Very low	152 Å²	152	156.8 Å²	156.8	81%	0.813	81%	0.814	S	S	*	*			trans	-92.5	166.4	172.3	-109.2	-10.4	0	0	0	111.7
8	C	30.3	Very low	31.1	Very low	131 Å²	131	153.3 Å²	153.3	89%	0.885	81%	0.812	S	S	*	*				-161.9	128.9	130	-132.5	0	0	0	0	114.2
9	D	31.8	Very low	31	Very low	150 Å²	150	152.6 Å²	152.6	80%	0.802	81%	0.814	S	S	*	*			trans	-120	148.6	167.2	-133.2	-27.5	0	0	0	106.3
10	P	43.9	Very low	30.6	Very low	105 Å²	105	150.1 Å²	150.1	68%	0.682	81%	0.809	S	S	*	*				-150.7	132.8	129.5	31.8	-12.6	0	0	0	118.1
11	K	31.4	Very low	30.5	Very low	198 Å²	198	151.7 Å²	151.7	86%	0.861	81%	0.814	S	S	*	*				56.5	103.1	129.6	-58.9	179.8	-179	177.9	0	120.8
12	G	24.8	Very low	30.2	Very low	76 Å²	76	147 Å²	147	78%	0.784	80%	0.798	S	S	*	*				76.2	131.4	97.6	0	0	0	0	0	121.5
13	L	29.4	Very low	30	Very low	182 Å²	182	144.8 Å²	144.8	95%	0.953	80%	0.798	S	S	*	*			trans	-146.8	156.2	157.4	-140.7	76.3	0	0	0	111.4
14	Q	27.2	Very low	30	Very low	193 Å²	193	143.7 Å²	143.7	90%	0.902	80%	0.803	S	S	*	*			trans	-102.1	172.5	-168.2	-76.1	180	-20.4	0	0	115.3
15	R	30.4	Very low	30	Very low	199 Å²	199	140 Å²	140	75%	0.751	80%	0.796	S	S	*	*			trans	-64.4	173.1	-175.7	-64.2	174.3	164.9	173.7	-6.8	115.3
16	P	31	Very low	29.8	Very low	134 Å²	134	139 Å²	139	87%	0.87	81%	0.805	S	S	*	*				-128.4	178.6	99.8	20.1	-2.1	0	0	0	115.5
17	M	27.3	Very low	29.6	Very low	157 Å²	157	141.2 Å²	141.2	77%	0.773	82%	0.816	S	S	*	*			trans	-105.7	175.4	-172.6	-77.6	-162	-172.7	0	0	114.5
18	A	26.8	Very low	29.5	Very low	94 Å²	94	145.2 Å²	145.2	78%	0.777	82%	0.819	S	S	*	*			trans	104.4	142.7	164.5	0	0	0	0	0	114.2
19	T	28	Very low	29.3	Very low	140 Å²	140	145 Å²	145	86%	0.859	81%	0.814	S	S	*	*			cis	-142.5	159.2	19.5	-49.1	0	0	0	0	112.2
20	S	24.5	Very low	29	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	82%	0.816	S	S	*	*			trans	-69.8	144.6	179.1	-170.7	0	0	0	0	114
21	M	29	Very low	28.4	Very low	184 Å²	184	148.8 Å²	148.8	91%	0.906	82%	0.821	S	S	*	*			trans	-132.5	139.7	159.1	-79.6	-164.7	169.8	0	0	110.8
22	V	28.9	Very low	28.4	Very low	126 Å²	126	145.4 Å²	145.4	76%	0.764	82%	0.819	S	S	*	*			trans	-89	127	-161	178	0	0	0	0	111.9	V24	V22-V24 PolarHBondContact O-N 2.88Å
23	S	28.5	Very low	28.4	Very low	120 Å²	120	147.1 Å²	147.1	84%	0.839	82%	0.819	S	S	*	*			trans	-77.3	116.4	168.1	-67.3	0	0	0	0	111	G25	S23-G25 PolarHBondContact O-N 3.18Å
24	V	31.1	Very low	28.4	Very low	139 Å²	139	143.1 Å²	143.1	84%	0.842	81%	0.812	S	S	*	*			trans	-83.2	107.1	172.3	-178.7	0	0	0	0	109.4	V22	V22-V24 PolarHBondContact O-N 2.88Å
25	G	28.8	Very low	28.6	Very low	55 Å²	55	139.7 Å²	139.7	57%	0.567	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.1	146.7	170	0	0	0	0	0	111.9	S23	S23-G25 PolarHBondContact O-N 3.18Å
26	P	29.8	Very low	28.5	Very low	136 Å²	136	139.2 Å²	139.2	88%	0.883	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.2	135.7	176.7	27.5	-33.3	0	0	0	111.6
27	Q	28.8	Very low	28.4	Very low	192 Å²	192	139.5 Å²	139.5	90%	0.897	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.3	140.3	-174.5	-72.4	172.4	-36.3	0	0	113.1
28	R	27	Very low	28.4	Very low	236 Å²	236	138.5 Å²	138.5	89%	0.891	82%	0.815	S	S	*	*			trans	-86	111	171.2	-176.3	-179.1	-170.9	174.2	3.1	109.3	Q30	R28-Q30 PolarHBondContact O-N 3.09Å
29	V	28	Very low	28.5	Very low	126 Å²	126	141.9 Å²	141.9	76%	0.764	82%	0.82	S	S	*	*			trans	-67.2	124.9	172.5	178.5	0	0	0	0	109.4	I31	V29-I31 HydrophobicContact CG1-CG1 4.44Å
30	Q	23.5	Very low	28.6	Very low	181 Å²	181	144 Å²	144	85%	0.846	82%	0.818	S	S	*	*			trans	-88.3	140.3	168.1	-68.5	178	-13.9	0	0	109.1	R28	R28-Q30 PolarHBondContact O-N 3.09Å
31	I	32.3	Very low	28.8	Very low	154 Å²	154	147.3 Å²	147.3	79%	0.79	83%	0.827	S	S	*	*			trans	-121.4	130.4	169	-58.9	178.2	0	0	0	106.9	V29	V29-I31 HydrophobicContact CG1-CG1 4.44Å
32	P	30.6	Very low	28.7	Very low	127 Å²	127	143 Å²	143	83%	0.825	82%	0.82	S	S	*	*			trans	-71.6	162.9	-178.5	-16.6	31.3	0	0	0	113.7
33	S	26	Very low	28.8	Very low	111 Å²	111	145 Å²	145	78%	0.776	83%	0.826	S	S	*	*			trans	-104.9	150.6	-175.6	52.3	0	0	0	0	114.1
34	A	29.7	Very low	28.9	Very low	98 Å²	98	146 Å²	146	81%	0.81	83%	0.827	S	S	*	*			trans	74.9	157.2	159	0	0	0	0	0	115.5
35	P	31.3	Very low	28.7	Very low	122 Å²	122	142.8 Å²	142.8	79%	0.792	82%	0.821	S	S	*	*			cis	-122.1	169.6	24.8	40.4	-26.2	0	0	0	117.5
36	E	28	Very low	28.9	Very low	189 Å²	189	146.2 Å²	146.2	88%	0.883	83%	0.834	S	S	*	*			trans	-74.9	145.4	167	-58.9	171.3	126.5	0	0	111.2
37	T	28.4	Very low	28.9	Very low	140 Å²	140	150 Å²	150	86%	0.859	83%	0.83	S	S	*	*			trans	-133.4	128.1	153.9	45.8	0	0	0	0	110.3
38	T	28	Very low	29.1	Very low	136 Å²	136	152.2 Å²	152.2	83%	0.834	83%	0.83	S	S	*	*			trans	-72.8	141.9	168.5	49	0	0	0	0	110.2
39	D	28.6	Very low	29.3	Very low	164 Å²	164	147.5 Å²	147.5	88%	0.877	82%	0.818	S	S	*	*			trans	-148.5	145.2	144.6	-125	-29.7	0	0	0	113.7
40	K	28.8	Very low	29.4	Very low	185 Å²	185	147.3 Å²	147.3	80%	0.804	82%	0.82	S	S	*	*			trans	-109.5	130.1	177.5	-64.3	173.5	-178.8	173.3	0	108
41	N	30.1	Very low	29.7	Very low	173 Å²	173	145.1 Å²	145.1	93%	0.925	82%	0.819	S	S	*	*			trans	-166.4	143.2	137.7	-100	-35.1	0	0	0	112.2
42	A	27	Very low	29.7	Very low	92 Å²	92	144 Å²	144	76%	0.76	82%	0.819	S	S	*	*			trans	-107.6	138.5	178.9	0	0	0	0	0	110.3
43	I	30.8	Very low	29.9	Very low	170 Å²	170	142.8 Å²	142.8	87%	0.872	81%	0.813	S	S	*	*			trans	-132.2	141.5	160.7	-62.4	-175.9	0	0	0	108.1
44	T	30.1	Very low	30.6	Very low	141 Å²	141	143 Å²	143	87%	0.865	82%	0.815	S	S	*	*			trans	-89.7	150.8	-164.2	42.3	0	0	0	0	113.8
45	G	28	Very low	31.1	Very low	70 Å²	70	143.4 Å²	143.4	72%	0.722	81%	0.812	S	S	*	*			trans	-157.5	146.9	173.1	0	0	0	0	0	110.9
46	P	31.9	Very low	31.4	Very low	128 Å²	128	141.2 Å²	141.2	83%	0.831	81%	0.812	S	S	*	*			trans	-83.9	137.9	-153.9	30.3	-35.8	0	0	0	116.3	R48	P46-R48 PolarHBondContact O-N 3.04Å
47	R	30.1	Very low	32.1	Very low	214 Å²	214	136.5 Å²	136.5	81%	0.808	81%	0.805	S	S	*	*			trans	-23.9	117.2	160.8	-172.2	176.4	177.6	170.9	-2.7	115	E49	R47-E49 IonicContact CZ-OE1 2.75Å; R47-E49 IonicContact NE-OE1 2.68Å; R47-E49 IonicContact NH2-OE1 2.69Å; R47-E49 PolarHBondContact NH2-OE1 3.45Å
48	R	32.9	Very low	32.8	Very low	240 Å²	240	134.1 Å²	134.1	91%	0.906	80%	0.799	S	S	*	*			trans	-116.1	130.7	153.3	-78.5	-175.2	172.7	179.2	-1.8	108.2	P46	P46-R48 PolarHBondContact O-N 3.04Å
49	E	31.6	Very low	33.6	Very low	137 Å²	137	133.6 Å²	133.6	64%	0.64	80%	0.798	S	S	*	*			trans	-74.5	147.3	-178.6	-53.9	-152.2	141.4	0	0	111	R47 V51	R47-E49 IonicContact CZ-OE1 2.75Å; R47-E49 IonicContact NE-OE1 2.68Å; R47-E49 IonicContact NH2-OE1 2.69Å; R47-E49 PolarHBondContact NH2-OE1 3.45Å; E49-V51 PolarHBondContact O-N 3.13Å
50	P	29.9	Very low	35.1	Very low	121 Å²	121	130 Å²	130	79%	0.786	79%	0.792	S	S	*	*			trans	-73.4	111.6	177.6	-4.4	21	0	0	0	109.1	T52	P50-T52 PolarHBondContact O-N 3.1Å; P50-T52 VanDerWaalsContact O-N 3.09Å
51	V	30.2	Very low	36.8	Very low	136 Å²	136	126.1 Å²	126.1	82%	0.824	78%	0.775	S	S	*	*			trans	-62.8	112.7	168.4	-179.8	0	0	0	0	107.9	E49 S53	E49-V51 PolarHBondContact O-N 3.13Å; V51-S53 VanDerWaalsContact C-N 3.3Å; V51-S53 PolarHBondContact O-N 2.81Å
52	T	32.6	Very low	39.5	Very low	130 Å²	130	126.9 Å²	126.9	80%	0.798	77%	0.77	S	S	*	*			trans	-71.6	83.8	176.3	36.9	0	0	0	0	110.3	P50 S54	P50-T52 PolarHBondContact O-N 3.1Å; P50-T52 VanDerWaalsContact O-N 3.09Å; T52-S54 VanDerWaalsContact C-N 3.29Å; T52-S54 PolarHBondContact O-N 2.89Å
53	S	34.6	Very low	42.7	Very low	101 Å²	101	124.6 Å²	124.6	71%	0.706	74%	0.743	S	S	*	*			trans	-68.5	87.6	169	49.3	0	0	0	0	110.1	V51 S55	V51-S53 VanDerWaalsContact C-N 3.3Å; V51-S53 PolarHBondContact O-N 2.81Å; S53-S55 PolarHBondContact O-N 2.9Å
54	S	39.5	Very low	45.8	Very low	117 Å²	117	119.5 Å²	119.5	82%	0.818	72%	0.719	S	S	*	*			trans	-70.8	62.4	174.5	48.3	0	0	0	0	112	T52 G56	T52-S54 VanDerWaalsContact C-N 3.29Å; T52-S54 PolarHBondContact O-N 2.89Å; S54-G56 PolarHBondContact O-N 3.25Å
55	S	40.8	Very low	48.9	Very low	105 Å²	105	114.9 Å²	114.9	73%	0.734	69%	0.689	S	S	*	*			trans	-73	80.8	165.4	50.2	0	0	0	0	109.5	S53 A57	S53-S55 PolarHBondContact O-N 2.9Å; S55-A57 PolarHBondContact O-N 3.01Å
56	G	37.8	Very low	52.2	Low	77 Å²	77	118.6 Å²	118.6	79%	0.794	69%	0.688	S	S	*	*			trans	-66.4	68	174.4	0	0	0	0	0	112.6	S54 A58	S54-G56 PolarHBondContact O-N 3.25Å; G56-A58 PolarHBondContact O-N 2.75Å; G56-A58 VanDerWaalsContact O-N 3.1Å
57	A	43.2	Very low	55.3	Low	90 Å²	90	114.2 Å²	114.2	74%	0.744	66%	0.657	S	S	*	*			trans	-62	110.5	162.8	0	0	0	0	0	107.7	S55	S55-A57 PolarHBondContact O-N 3.01Å
58	A	41.7	Very low	58.5	Low	89 Å²	89	104.3 Å²	104.3	74%	0.736	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-52.6	130.3	176.2	0	0	0	0	0	109.1	G56 A60	G56-A58 PolarHBondContact O-N 2.75Å; G56-A58 VanDerWaalsContact O-N 3.1Å; A58-A60 PolarHBondContact O-N 3.21Å; A58-A60 VanDerWaalsContact O-N 3.17Å
59	P	45.5	Very low	61.6	Low	125 Å²	125	95.5 Å²	95.5	81%	0.812	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.7	125.8	-172.8	22.2	-32.9	0	0	0	109.8	K61	P59-K61 PolarHBondContact O-N 2.85Å; P59-K61 VanDerWaalsContact O-N 3.13Å
60	A	60.7	Low	64.8	Low	90 Å²	90	92.8 Å²	92.8	74%	0.744	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-51.9	122.4	-179.5	0	0	0	0	0	109.7	A58 K62	A58-A60 PolarHBondContact O-N 3.21Å; A58-A60 VanDerWaalsContact O-N 3.17Å; A60-K62 PolarHBondContact O-N 2.8Å
61	K	64.9	Low	68	Low	102 Å²	102	88.9 Å²	88.9	44%	0.443	56%	0.562	S	S	.	*			trans	-56.9	108.6	-172.9	-167.5	-158.7	-178.4	-130.4	0	109.4	P59 F63 D67	P59-K61 PolarHBondContact O-N 2.85Å; P59-K61 VanDerWaalsContact O-N 3.13Å; K61-F63 PolarHBondContact O-N 2.73Å; K61-D67 IonicContact NZ-OD1 3.7Å; K61-D67 PolarHBondContact NZ-OD1 3.39Å
62	K	85.8	Confident	71.1	Confident	190 Å²	190	89.7 Å²	89.7	83%	0.826	55%	0.55	S	S	*	.			trans	-72.7	110.3	174.7	-67.1	-175.3	179.6	-179.9	0	108.5	A60	A60-K62 PolarHBondContact O-N 2.8Å
63	F	93.3	Very high	74.2	Confident	44 Å²	44	87.5 Å²	87.5	19%	0.193	54%	0.537	C	S	.	.			trans	-69.7	148.4	171.2	-75.1	-88	0	0	0	110.8	K61 D67 F68 N133 F135 I144	K61-F63 PolarHBondContact O-N 2.73Å; F63-D67 HydrophobicContact CD1-CB 4.39Å; F63-F68 AromaticContact CD1-CE2 3.94Å; F63-F68 HydrophobicContact CD1-CE2 3.94Å; F63-F68 AromaticContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CE1-CZ 4.12Å; F63-N133 HydrophobicContact CE2-CB 4.4Å; F63-F135 HydrophobicContact CB-CB 4.04Å; F63-F135 HydrophobicContact CB-CD1 3.56Å; F63-F135 HydrophobicContact CB-CE1 4.16Å; F63-F135 HydrophobicContact CB-CG 3.88Å; F63-F135 WeakPolarHBondContact O-CB 3.49Å; F63-F135 WeakPolarHBondContact O-CG 3.42Å; F63-I144 HydrophobicContact CB-CD1 4.39Å; F63-I144 HydrophobicContact CD1-CD1 4.21Å; F63-I144 HydrophobicContact CD2-CD1 4.25Å; F63-I144 HydrophobicContact CG-CD1 4.04Å
64	T	96.1	Very high	77	Confident	62 Å²	62	85.1 Å²	85.1	38%	0.38	52%	0.517	S	S	.	.			trans	-130.3	167.5	172.3	69.9	0	0	0	0	109.7	H66 D67 F68 F135	T64-H66 PolarHBondContact O-N 3.13Å; T64-H66 PolarHBondContact OG1-N 2.93Å; T64-D67 PolarHBondContact N-OD2 2.71Å; T64-D67 PolarHBondContact O-N 2.93Å; T64-D67 PolarHBondContact OG1-OD2 3.11Å; T64-F68 WeakPolarHBondContact O-CD2 3.42Å; T64-F68 WeakPolarHBondContact O-CE2 3.44Å; T64-F135 VanDerWaalsContact C-CE2 3.46Å
65	I	96.3	Very high	79.3	Confident	44 Å²	44	80.8 Å²	80.8	23%	0.226	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-63	-24.3	174.2	-168	56.3	0	0	0	112.5	D67 F68 I70 L96 F135 F142	I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 2.92Å; I65-F68 PolarHBondContact O-N 3.41Å; I65-I70 HydrophobicContact CD1-CD1 3.78Å; I65-I70 HydrophobicContact CD1-CG1 4.12Å; I65-L96 HydrophobicContact CD1-CD2 3.72Å; I65-F135 HydrophobicContact CB-CE2 4.35Å; I65-F142 HydrophobicContact CB-CZ 4.42Å; I65-F142 HydrophobicContact CD1-CD1 4.17Å; I65-F142 HydrophobicContact CD1-CE1 3.7Å; I65-F142 HydrophobicContact CD1-CZ 4.41Å; I65-F142 HydrophobicContact CG1-CE1 4.28Å
66	H	96.7	Very high	81.5	Confident	149 Å²	149	84.5 Å²	84.5	69%	0.69	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-74.5	-18.1	-179.7	-59.7	-71.5	0	0	0	113.4	T64 F68 K88	T64-H66 PolarHBondContact O-N 3.13Å; T64-H66 PolarHBondContact OG1-N 2.93Å; H66-F68 PolarHBondContact O-N 3.17Å; H66-K88 WeakPolarHBondContact O-CD 3.3Å; H66-K88 PolarHBondContact O-NZ 3.18Å
67	D	97.2	Very high	83.5	Confident	35 Å²	35	82.7 Å²	82.7	19%	0.187	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-68.1	-11.4	172.5	-67.5	-93.5	0	0	0	113	K61 F63 T64 I65 K88	K61-D67 IonicContact NZ-OD1 3.7Å; K61-D67 PolarHBondContact NZ-OD1 3.39Å; F63-D67 HydrophobicContact CD1-CB 4.39Å; T64-D67 PolarHBondContact N-OD2 2.71Å; T64-D67 PolarHBondContact O-N 2.93Å; T64-D67 PolarHBondContact OG1-OD2 3.11Å; I65-D67 VanDerWaalsContact C-N 3.3Å; I65-D67 PolarHBondContact O-N 2.92Å; D67-K88 WeakPolarHBondContact O-CB 3.46Å; D67-K88 WeakPolarHBondContact O-CG 2.82Å; D67-K88 PolarHBondContact O-N 2.9Å
68	F	98.1	Very high	85.2	Confident	6 Å²	6	85.1 Å²	85.1	3%	0.026	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.3	-173.7	-59.2	-85.5	0	0	0	113	F63 T64 I65 H66 I70 A85 R86 D87 K88 V94 F135 I144	F63-F68 AromaticContact CD1-CE2 3.94Å; F63-F68 HydrophobicContact CD1-CE2 3.94Å; F63-F68 AromaticContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CE1-CZ 4.12Å; T64-F68 WeakPolarHBondContact O-CD2 3.42Å; T64-F68 WeakPolarHBondContact O-CE2 3.44Å; I65-F68 PolarHBondContact O-N 3.41Å; H66-F68 PolarHBondContact O-N 3.17Å; F68-I70 HydrophobicContact CB-CD1 3.84Å; F68-A85 HydrophobicContact CB-CB 4.39Å; F68-A85 HydrophobicContact CD1-CB 4.43Å; F68-R86 CarbonylContact C-O 3.53Å; F68-R86 VanDerWaalsContact CA-O 3.25Å; F68-R86 WeakPolarHBondContact CA-O 3.39Å; F68-D87 HydrophobicContact CD1-CB 4.31Å; F68-D87 HydrophobicContact CE1-CB 4.04Å; F68-K88 VanDerWaalsContact C-CE 3.49Å; F68-K88 VanDerWaalsContact O-CE 3.31Å; F68-K88 WeakPolarHBondContact O-CE 3.46Å; F68-K88 PolarHBondContact O-NZ 2.83Å; F68-V94 HydrophobicContact CD1-CG2 4.2Å; F68-V94 HydrophobicContact CE1-CG2 4.1Å; F68-F135 HydrophobicContact CD2-CE1 4.25Å; F68-F135 HydrophobicContact CD2-CZ 4.15Å; F68-F135 AromaticContact CE2-CE1 3.55Å; F68-F135 HydrophobicContact CE2-CE1 3.55Å; F68-F135 AromaticContact CE2-CZ 3.89Å; F68-F135 HydrophobicContact CE2-CZ 3.89Å; F68-F135 HydrophobicContact CZ-CE1 4.25Å; F68-I144 HydrophobicContact CE1-CG2 4.47Å; F68-I144 HydrophobicContact CE2-CD1 4.28Å; F68-I144 HydrophobicContact CZ-CD1 3.64Å; F68-I144 HydrophobicContact CZ-CG1 3.98Å
69	D	98.1	Very high	87.2	Confident	55 Å²	55	82.7 Å²	82.7	29%	0.294	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.1	156.2	-58.5	-45.5	0	0	0	107.9	A85 R86 K88	D69-A85 CarbonylContact O-C 3.52Å; D69-A85 WeakPolarHBondContact O-CA 3.41Å; D69-A85 WeakPolarHBondContact O-CB 3.29Å; D69-R86 HydrophobicContact CB-CB 4.24Å; D69-R86 PolarHBondContact N-O 2.83Å; D69-R86 PolarHBondContact O-N 2.82Å; D69-R86 IonicContact OD2-CZ 3.04Å; D69-R86 VanDerWaalsContact OD2-CZ 3.23Å; D69-R86 IonicContact OD2-NE 3.5Å; D69-R86 PolarHBondContact OD2-NE 2.68Å; D69-R86 IonicContact OD2-NH2 2.73Å; D69-R86 PolarHBondContact OD2-NH2 2.86Å; D69-K88 WeakPolarHBondContact OD1-CE 3.19Å; D69-K88 IonicContact OD1-NZ 3.47Å
70	I	98	Very high	89.3	Confident	81 Å²	81	77.2 Å²	77.2	42%	0.415	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.5	179.2	-52.8	-54.3	0	0	0	109.3	I65 F68 Y83 A85 L96	I65-I70 HydrophobicContact CD1-CD1 3.78Å; I65-I70 HydrophobicContact CD1-CG1 4.12Å; F68-I70 HydrophobicContact CB-CD1 3.84Å; I70-Y83 HydrophobicContact CG2-CD1 4.05Å; I70-Y83 HydrophobicContact CG2-CG 4.01Å; I70-A85 HydrophobicContact CD1-CB 3.85Å; I70-L96 HydrophobicContact CD1-CD2 3.63Å
71	G	97	Very high	90.9	Very high	39 Å²	39	75.4 Å²	75.4	40%	0.402	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-154.2	176.3	0	0	0	0	0	112.8	V84	G71-V84 WeakPolarHBondContact CA-O 3.31Å; G71-V84 PolarHBondContact N-O 2.87Å
72	R	96.3	Very high	92.3	Very high	153 Å²	153	72.1 Å²	72.1	58%	0.577	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	150.3	-178	68.1	-178.9	-178.2	95.9	-6	113.1	V84	R72-V84 HydrophobicContact CG-CG1 3.85Å; R72-V84 PolarHBondContact O-N 3.31Å
73	P	96.4	Very high	92.9	Very high	83 Å²	83	66.1 Å²	66.1	54%	0.539	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	145.6	165.8	27.6	-34.7	0	0	0	110.9	Y83	P73-Y83 HydrophobicContact CB-CD1 4.22Å; P73-Y83 HydrophobicContact CB-CE1 4.22Å
74	L	93.4	Very high	93.1	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-35.9	174.2	-65.8	176.5	0	0	0	111.6	V82 V84 A95 Y147	L74-V82 HydrophobicContact CB-CB 4.46Å; L74-V82 HydrophobicContact CB-CG1 4.36Å; L74-V82 HydrophobicContact CD1-CG1 4.3Å; L74-V82 PolarHBondContact N-O 2.9Å; L74-V84 HydrophobicContact CD1-CB 4.06Å; L74-V84 HydrophobicContact CD2-CB 4.18Å; L74-V84 HydrophobicContact CG-CB 4.17Å; L74-A95 HydrophobicContact CD1-CB 4.15Å; L74-Y147 HydrophobicContact CD1-CD2 3.71Å; L74-Y147 HydrophobicContact CD1-CE2 3.58Å; L74-Y147 HydrophobicContact CD2-CE2 3.7Å; L74-Y147 HydrophobicContact CG-CE2 4.3Å
75	G	89.1	Confident	93.2	Very high	26 Å²	26	62.3 Å²	62.3	27%	0.268	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	167.6	179.6	0	0	0	0	0	112.7	V82	G75-V82 PolarHBondContact N-O 3.24Å; G75-V82 PolarHBondContact O-N 2.9Å
76	K	86.6	Confident	93.3	Very high	183 Å²	183	65 Å²	65	80%	0.796	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.9	175.1	179.8	175.1	-179.5	-176.1	0	108.5
77	G	79.3	Confident	93.3	Very high	39 Å²	39	58.4 Å²	58.4	40%	0.402	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	178	171	0	0	0	0	0	111.4	F79 G80	G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 PolarHBondContact O-N 2.79Å; G77-G80 CarbonylContact C-O 3.46Å; G77-G80 WeakPolarHBondContact CA-O 3.44Å; G77-G80 PolarHBondContact N-O 3.22Å; G77-G80 VanDerWaalsContact O-O 3.09Å
78	K	78.8	Confident	93.3	Very high	142 Å²	142	61.9 Å²	61.9	62%	0.617	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-41.5	-179.6	-168.4	176.7	-176	-136.5	0	113	Q103 E107	K78-Q103 PolarHBondContact O-NE2 2.79Å; K78-E107 WeakPolarHBondContact CE-OE2 3.25Å; K78-E107 IonicContact NZ-OE2 3.47Å; K78-E107 PolarHBondContact NZ-OE2 2.67Å
79	F	83.8	Confident	93.1	Very high	38 Å²	38	69.5 Å²	69.5	17%	0.167	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	12.5	-171.4	-47.3	-75.6	0	0	0	114.8	G77 L99 F100 Q103 M104 E107 V109	G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 PolarHBondContact O-N 2.79Å; F79-L99 HydrophobicContact CB-CD2 3.99Å; F79-L99 WeakPolarHBondContact O-CA 3.33Å; F79-F100 PolarHBondContact O-N 3.19Å; F79-F100 VanDerWaalsContact O-N 3.08Å; F79-Q103 HydrophobicContact CD1-CG 4.33Å; F79-M104 HydrophobicContact CB-CG 4.49Å; F79-M104 HydrophobicContact CD1-CG 4.49Å; F79-E107 HydrophobicContact CE1-CB 4.09Å; F79-E107 HydrophobicContact CE1-CG 4.35Å; F79-E107 VanDerWaalsContact CE1-OE2 3.26Å; F79-E107 WeakPolarHBondContact CE1-OE2 3.38Å; F79-V109 HydrophobicContact CD1-CG2 4.09Å; F79-V109 HydrophobicContact CE1-CB 4.38Å; F79-V109 HydrophobicContact CE1-CG1 4.23Å; F79-V109 HydrophobicContact CE1-CG2 3.46Å; F79-V109 VanDerWaalsContact CE1-CG2 3.46Å; F79-V109 HydrophobicContact CE2-CG2 4.24Å; F79-V109 HydrophobicContact CZ-CB 4.09Å; F79-V109 HydrophobicContact CZ-CG1 3.87Å; F79-V109 HydrophobicContact CZ-CG2 3.56Å
80	G	89.1	Confident	92.9	Very high	10 Å²	10	72.8 Å²	72.8	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-159.5	-177.6	0	0	0	0	0	113.6	G77 V98	G77-G80 CarbonylContact C-O 3.46Å; G77-G80 WeakPolarHBondContact CA-O 3.44Å; G77-G80 PolarHBondContact N-O 3.22Å; G77-G80 VanDerWaalsContact O-O 3.09Å; G80-V98 CarbonylContact C-O 3.54Å; G80-V98 VanDerWaalsContact CA-O 3.31Å; G80-V98 WeakPolarHBondContact CA-O 3.35Å
81	N	94.3	Very high	92.8	Very high	51 Å²	51	74.1 Å²	74.1	27%	0.273	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.3	-168.6	-65.6	-29.8	0	0	0	111.9	Y83 V98	N81-Y83 HydrophobicContact CB-CD2 4.34Å; N81-Y83 HydrophobicContact CB-CE2 3.5Å; N81-Y83 VanDerWaalsContact CB-CE2 3.5Å; N81-Y83 PolarHBondContact ND2-OH 2.79Å; N81-Y83 VanDerWaalsContact ND2-OH 3.1Å; N81-V98 PolarHBondContact N-O 3.44Å; N81-V98 VanDerWaalsContact N-O 3.16Å; N81-V98 PolarHBondContact O-N 2.84Å
82	V	95.8	Very high	92.7	Very high	33 Å²	33	76.8 Å²	76.8	20%	0.2	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.8	170.3	-170.5	0	0	0	0	108.8	L74 G75 A95 L96 K97	L74-V82 HydrophobicContact CB-CB 4.46Å; L74-V82 HydrophobicContact CB-CG1 4.36Å; L74-V82 HydrophobicContact CD1-CG1 4.3Å; L74-V82 PolarHBondContact N-O 2.9Å; G75-V82 PolarHBondContact N-O 3.24Å; G75-V82 PolarHBondContact O-N 2.9Å; V82-A95 HydrophobicContact CG1-CB 4.08Å; V82-L96 WeakPolarHBondContact CA-O 3.42Å; V82-K97 HydrophobicContact CG2-CB 4.13Å; V82-K97 HydrophobicContact CG2-CG 4.11Å
83	Y	97.7	Very high	92.8	Very high	64 Å²	64	73.1 Å²	73.1	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.4	177.5	-58.2	-93.3	0	0	0	110.3	I70 P73 N81 A95 L96 V98	I70-Y83 HydrophobicContact CG2-CD1 4.05Å; I70-Y83 HydrophobicContact CG2-CG 4.01Å; P73-Y83 HydrophobicContact CB-CD1 4.22Å; P73-Y83 HydrophobicContact CB-CE1 4.22Å; N81-Y83 HydrophobicContact CB-CD2 4.34Å; N81-Y83 HydrophobicContact CB-CE2 3.5Å; N81-Y83 VanDerWaalsContact CB-CE2 3.5Å; N81-Y83 PolarHBondContact ND2-OH 2.79Å; N81-Y83 VanDerWaalsContact ND2-OH 3.1Å; Y83-A95 CarbonylContact O-C 3.56Å; Y83-A95 WeakPolarHBondContact O-CA 3.5Å; Y83-L96 PolarHBondContact N-O 3.26Å; Y83-L96 PolarHBondContact O-N 3.22Å; Y83-V98 HydrophobicContact CD2-CG2 3.89Å; Y83-V98 HydrophobicContact CE2-CB 4.45Å; Y83-V98 HydrophobicContact CE2-CG2 3.96Å
84	V	97.8	Very high	92.8	Very high	23 Å²	23	69.3 Å²	69.3	14%	0.139	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.2	158.6	70.2	0	0	0	0	107.3	G71 R72 L74 I93 Y147	G71-V84 WeakPolarHBondContact CA-O 3.31Å; G71-V84 PolarHBondContact N-O 2.87Å; R72-V84 HydrophobicContact CG-CG1 3.85Å; R72-V84 PolarHBondContact O-N 3.31Å; L74-V84 HydrophobicContact CD1-CB 4.06Å; L74-V84 HydrophobicContact CD2-CB 4.18Å; L74-V84 HydrophobicContact CG-CB 4.17Å; V84-I93 HydrophobicContact CG2-CG2 3.64Å; V84-Y147 HydrophobicContact CG2-CD1 4.4Å; V84-Y147 HydrophobicContact CG2-CD2 4.33Å; V84-Y147 HydrophobicContact CG2-CE1 4.3Å; V84-Y147 HydrophobicContact CG2-CE2 4.29Å; V84-Y147 HydrophobicContact CG2-CG 4.41Å
85	A	98.3	Very high	93.1	Very high	3 Å²	3	67.2 Å²	67.2	3%	0.025	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.4	177.9	0	0	0	0	0	110.5	F68 D69 I70 I93 V94 L96	F68-A85 HydrophobicContact CB-CB 4.39Å; F68-A85 HydrophobicContact CD1-CB 4.43Å; D69-A85 CarbonylContact O-C 3.52Å; D69-A85 WeakPolarHBondContact O-CA 3.41Å; D69-A85 WeakPolarHBondContact O-CB 3.29Å; I70-A85 HydrophobicContact CD1-CB 3.85Å; A85-I93 WeakPolarHBondContact O-CA 3.49Å; A85-V94 HydrophobicContact CB-CG2 4.03Å; A85-V94 PolarHBondContact N-O 2.76Å; A85-V94 PolarHBondContact O-N 3.34Å; A85-V94 VanDerWaalsContact O-O 3.11Å; A85-L96 HydrophobicContact CB-CB 4.03Å
86	R	98.3	Very high	93.5	Very high	101 Å²	101	66 Å²	66	38%	0.381	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.7	176.6	-174.9	174.5	72.4	159.8	-11	109.6	F68 D69 K88 N91 F92 I93	F68-R86 CarbonylContact C-O 3.53Å; F68-R86 VanDerWaalsContact CA-O 3.25Å; F68-R86 WeakPolarHBondContact CA-O 3.39Å; D69-R86 HydrophobicContact CB-CB 4.24Å; D69-R86 PolarHBondContact N-O 2.83Å; D69-R86 PolarHBondContact O-N 2.82Å; D69-R86 IonicContact OD2-CZ 3.04Å; D69-R86 VanDerWaalsContact OD2-CZ 3.23Å; D69-R86 IonicContact OD2-NE 3.5Å; D69-R86 PolarHBondContact OD2-NE 2.68Å; D69-R86 IonicContact OD2-NH2 2.73Å; D69-R86 PolarHBondContact OD2-NH2 2.86Å; R86-K88 PolarHBondContact O-N 3.16Å; R86-N91 VanDerWaalsContact CD-OD1 3.29Å; R86-N91 WeakPolarHBondContact CD-OD1 3.18Å; R86-N91 PolarHBondContact NH1-OD1 3.34Å; R86-F92 CarbonylContact C-O 3.59Å; R86-F92 WeakPolarHBondContact CA-O 3.45Å; R86-I93 HydrophobicContact CB-CD1 3.87Å; R86-I93 HydrophobicContact CG-CD1 3.89Å
87	D	97.2	Very high	93.9	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	121	168.5	179.8	-68	0	0	0	108.5	F68 K89 L90 N91 F92	F68-D87 HydrophobicContact CD1-CB 4.31Å; F68-D87 HydrophobicContact CE1-CB 4.04Å; D87-K89 VanDerWaalsContact C-N 3.3Å; D87-K89 PolarHBondContact O-N 3.48Å; D87-K89 WeakPolarHBondContact OD1-CA 3.36Å; D87-K89 WeakPolarHBondContact OD1-CB 3.25Å; D87-K89 PolarHBondContact OD1-N 2.88Å; D87-L90 HydrophobicContact CB-CB 4.41Å; D87-L90 PolarHBondContact OD1-N 3.32Å; D87-N91 WeakPolarHBondContact O-CA 3.49Å; D87-N91 PolarHBondContact O-N 3.31Å; D87-F92 PolarHBondContact N-O 2.88Å; D87-F92 PolarHBondContact O-N 2.89Å
88	K	96.8	Very high	94.7	Very high	107 Å²	107	57.8 Å²	57.8	47%	0.465	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.2	-174.6	-71.8	171.5	177.5	160	0	113.7	H66 D67 F68 D69 R86	H66-K88 WeakPolarHBondContact O-CD 3.3Å; H66-K88 PolarHBondContact O-NZ 3.18Å; D67-K88 WeakPolarHBondContact O-CB 3.46Å; D67-K88 WeakPolarHBondContact O-CG 2.82Å; D67-K88 PolarHBondContact O-N 2.9Å; F68-K88 VanDerWaalsContact C-CE 3.49Å; F68-K88 VanDerWaalsContact O-CE 3.31Å; F68-K88 WeakPolarHBondContact O-CE 3.46Å; F68-K88 PolarHBondContact O-NZ 2.83Å; D69-K88 WeakPolarHBondContact OD1-CE 3.19Å; D69-K88 IonicContact OD1-NZ 3.47Å; R86-K88 PolarHBondContact O-N 3.16Å
89	K	94.1	Very high	95.5	Very high	167 Å²	167	51.4 Å²	51.4	73%	0.726	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-41.6	-177	-177	179.2	179	179	0	111.4	D87	D87-K89 VanDerWaalsContact C-N 3.3Å; D87-K89 PolarHBondContact O-N 3.48Å; D87-K89 WeakPolarHBondContact OD1-CA 3.36Å; D87-K89 WeakPolarHBondContact OD1-CB 3.25Å; D87-K89 PolarHBondContact OD1-N 2.88Å
90	L	94.1	Very high	96	Very high	124 Å²	124	53.6 Å²	53.6	65%	0.649	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.9	-177.9	-59	178.5	0	0	0	112.6	D87 F92	D87-L90 HydrophobicContact CB-CB 4.41Å; D87-L90 PolarHBondContact OD1-N 3.32Å; L90-F92 HydrophobicContact CB-CB 3.91Å; L90-F92 PolarHBondContact O-N 3.22Å
91	N	94.9	Very high	96.3	Very high	108 Å²	108	55.5 Å²	55.5	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.4	-171.5	-163.3	32.2	0	0	0	112.1	R86 D87	R86-N91 VanDerWaalsContact CD-OD1 3.29Å; R86-N91 WeakPolarHBondContact CD-OD1 3.18Å; R86-N91 PolarHBondContact NH1-OD1 3.34Å; D87-N91 WeakPolarHBondContact O-CA 3.49Å; D87-N91 PolarHBondContact O-N 3.31Å
92	F	95.1	Very high	96.2	Very high	96 Å²	96	57 Å²	57	42%	0.421	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.8	-168.7	-174.6	-106.2	0	0	0	111.3	R86 D87 L90 V94 Y132	R86-F92 CarbonylContact C-O 3.59Å; R86-F92 WeakPolarHBondContact CA-O 3.45Å; D87-F92 PolarHBondContact N-O 2.88Å; D87-F92 PolarHBondContact O-N 2.89Å; L90-F92 HydrophobicContact CB-CB 3.91Å; L90-F92 PolarHBondContact O-N 3.22Å; F92-V94 HydrophobicContact CD1-CG1 3.66Å; F92-V94 HydrophobicContact CE1-CG1 3.9Å; F92-Y132 AromaticContact CE1-CE2 3.92Å; F92-Y132 HydrophobicContact CE1-CE2 3.92Å; F92-Y132 AromaticContact CE1-CZ 3.85Å
93	I	97.6	Very high	95.9	Very high	75 Å²	75	58.1 Å²	58.1	39%	0.385	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.4	-177.9	-56	-61.6	0	0	0	110.6	V84 A85 R86 Y147	V84-I93 HydrophobicContact CG2-CG2 3.64Å; A85-I93 WeakPolarHBondContact O-CA 3.49Å; R86-I93 HydrophobicContact CB-CD1 3.87Å; R86-I93 HydrophobicContact CG-CD1 3.89Å; I93-Y147 HydrophobicContact CG2-CD1 3.56Å; I93-Y147 HydrophobicContact CG2-CE1 4.26Å; I93-Y147 HydrophobicContact CG2-CG 4.02Å
94	V	97.9	Very high	95.5	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163	-179.2	-62.7	0	0	0	0	110.5	F68 A85 F92 Y132 I144 L145	F68-V94 HydrophobicContact CD1-CG2 4.2Å; F68-V94 HydrophobicContact CE1-CG2 4.1Å; A85-V94 HydrophobicContact CB-CG2 4.03Å; A85-V94 PolarHBondContact N-O 2.76Å; A85-V94 PolarHBondContact O-N 3.34Å; A85-V94 VanDerWaalsContact O-O 3.11Å; F92-V94 HydrophobicContact CD1-CG1 3.66Å; F92-V94 HydrophobicContact CE1-CG1 3.9Å; V94-Y132 HydrophobicContact CG1-CD2 4.19Å; V94-Y132 HydrophobicContact CG1-CE2 4.13Å; V94-I144 HydrophobicContact CB-CG2 4.08Å; V94-I144 HydrophobicContact CG1-CG2 3.98Å; V94-I144 HydrophobicContact CG2-CG2 4.14Å; V94-L145 WeakPolarHBondContact CB-O 3.4Å
95	A	98.1	Very high	95.1	Very high	8 Å²	8	59.9 Å²	59.9	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.5	161.8	0	0	0	0	0	109.1	L74 V82 Y83 L145	L74-A95 HydrophobicContact CD1-CB 4.15Å; V82-A95 HydrophobicContact CG1-CB 4.08Å; Y83-A95 CarbonylContact O-C 3.56Å; Y83-A95 WeakPolarHBondContact O-CA 3.5Å; A95-L145 HydrophobicContact CB-CB 4.27Å; A95-L145 PolarHBondContact N-O 2.89Å; A95-L145 PolarHBondContact O-N 3.19Å
96	L	97.6	Very high	94.7	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	104.1	178	-163.3	70.7	0	0	0	109.4	I65 I70 V82 Y83 A85 V98 F135 F142 L143 I144	I65-L96 HydrophobicContact CD1-CD2 3.72Å; I70-L96 HydrophobicContact CD1-CD2 3.63Å; V82-L96 WeakPolarHBondContact CA-O 3.42Å; Y83-L96 PolarHBondContact N-O 3.26Å; Y83-L96 PolarHBondContact O-N 3.22Å; A85-L96 HydrophobicContact CB-CB 4.03Å; L96-V98 HydrophobicContact CG-CG2 4.43Å; L96-F135 HydrophobicContact CD1-CE1 4.02Å; L96-F135 HydrophobicContact CD1-CZ 4.31Å; L96-F142 HydrophobicContact CD1-CB 4.19Å; L96-F142 HydrophobicContact CD2-CD1 4Å; L96-F142 HydrophobicContact CG-CD1 4.26Å; L96-L143 WeakPolarHBondContact CA-O 3.47Å; L96-I144 HydrophobicContact CD1-CG1 3.79Å
97	K	95.9	Very high	94.2	Very high	37 Å²	37	67.2 Å²	67.2	16%	0.161	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.3	176.8	179	172.3	172.2	-172.8	0	108.2	V82 L99 E116 F142 L143 L145	V82-K97 HydrophobicContact CG2-CB 4.13Å; V82-K97 HydrophobicContact CG2-CG 4.11Å; K97-L99 HydrophobicContact CG-CD2 4.05Å; K97-L99 HydrophobicContact CG-CG 4.31Å; K97-E116 IonicContact NZ-OE1 2.71Å; K97-E116 PolarHBondContact NZ-OE1 3.4Å; K97-E116 IonicContact NZ-OE2 2.68Å; K97-F142 WeakPolarHBondContact O-CA 3.26Å; K97-L143 HydrophobicContact CB-CB 4.23Å; K97-L143 HydrophobicContact CB-CG 4.49Å; K97-L143 HydrophobicContact CD-CD1 4.09Å; K97-L143 PolarHBondContact N-O 3.43Å; K97-L143 PolarHBondContact O-N 2.74Å; K97-L145 HydrophobicContact CB-CD1 3.99Å; K97-L145 HydrophobicContact CD-CD1 4.19Å
98	V	96.3	Very high	93.7	Very high	12 Å²	12	69.5 Å²	69.5	7%	0.073	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.5	-177	-171.7	0	0	0	0	109.1	G80 N81 Y83 L96 R140 F142	G80-V98 CarbonylContact C-O 3.54Å; G80-V98 VanDerWaalsContact CA-O 3.31Å; G80-V98 WeakPolarHBondContact CA-O 3.35Å; N81-V98 PolarHBondContact N-O 3.44Å; N81-V98 VanDerWaalsContact N-O 3.16Å; N81-V98 PolarHBondContact O-N 2.84Å; Y83-V98 HydrophobicContact CD2-CG2 3.89Å; Y83-V98 HydrophobicContact CE2-CB 4.45Å; Y83-V98 HydrophobicContact CE2-CG2 3.96Å; L96-V98 HydrophobicContact CG-CG2 4.43Å; V98-R140 HydrophobicContact CG1-CB 4.31Å; V98-R140 HydrophobicContact CG1-CG 4.28Å; V98-F142 HydrophobicContact CB-CD1 4.43Å; V98-F142 HydrophobicContact CG1-CD1 4.11Å; V98-F142 HydrophobicContact CG1-CE1 3.84Å; V98-F142 HydrophobicContact CG1-CZ 4.45Å; V98-F142 HydrophobicContact CG2-CD1 3.82Å; V98-F142 HydrophobicContact CG2-CE1 4.01Å
99	L	94.9	Very high	93.1	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.037	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.7	-174.5	-55	170.1	0	0	0	109.8	F79 K97 M104 L113 R140 V141 L143	F79-L99 HydrophobicContact CB-CD2 3.99Å; F79-L99 WeakPolarHBondContact O-CA 3.33Å; K97-L99 HydrophobicContact CG-CD2 4.05Å; K97-L99 HydrophobicContact CG-CG 4.31Å; L99-M104 HydrophobicContact CB-SD 4.21Å; L99-L113 HydrophobicContact CD1-CD1 3.53Å; L99-L113 HydrophobicContact CD1-CD2 3.63Å; L99-L113 HydrophobicContact CD1-CG 4.24Å; L99-R140 CarbonylContact O-C 3.32Å; L99-R140 VanDerWaalsContact O-CA 3.23Å; L99-R140 WeakPolarHBondContact O-CA 3.17Å; L99-V141 HydrophobicContact CB-CB 4.42Å; L99-V141 PolarHBondContact N-O 2.78Å; L99-V141 PolarHBondContact O-N 2.81Å; L99-L143 HydrophobicContact CD1-CD1 4.24Å; L99-L143 HydrophobicContact CD1-CG 4.26Å
100	F	94.8	Very high	92.7	Very high	85 Å²	85	60 Å²	60	37%	0.373	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.2	179.7	-65.7	-82.4	0	0	0	111.5	F79 S102 Q103 M104 R140	F79-F100 PolarHBondContact O-N 3.19Å; F79-F100 VanDerWaalsContact O-N 3.08Å; F100-S102 PolarHBondContact O-N 2.69Å; F100-Q103 HydrophobicContact CB-CB 4.23Å; F100-Q103 PolarHBondContact O-N 3.24Å; F100-M104 PolarHBondContact O-N 3.29Å; F100-M104 VanDerWaalsContact O-N 3.14Å; F100-R140 HydrophobicContact CD1-CG 3.92Å; F100-R140 HydrophobicContact CE1-CG 4.05Å
101	K	94.3	Very high	92.3	Very high	50 Å²	50	60.5 Å²	60.5	22%	0.217	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-46.5	-177.2	-65.9	-177.1	-169.1	172.1	0	112.5	Q103 M104 E105 D137 H138 S139 V141	K101-Q103 PolarHBondContact O-N 2.77Å; K101-M104 WeakPolarHBondContact O-CA 3.5Å; K101-M104 WeakPolarHBondContact O-CB 3.36Å; K101-M104 PolarHBondContact O-N 3.14Å; K101-E105 WeakPolarHBondContact O-CG 3.44Å; K101-E105 PolarHBondContact O-N 2.75Å; K101-D137 WeakPolarHBondContact CE-O 3.38Å; K101-D137 PolarHBondContact NZ-O 3.21Å; K101-H138 WeakPolarHBondContact CD-O 3.47Å; K101-H138 WeakPolarHBondContact CE-O 3.37Å; K101-H138 PolarHBondContact NZ-O 2.95Å; K101-S139 WeakPolarHBondContact CG-O 3.39Å; K101-S139 PolarHBondContact N-O 3.49Å; K101-V141 HydrophobicContact CG-CG2 4.13Å
102	S	92.9	Very high	91.7	Very high	81 Å²	81	57.8 Å²	57.8	57%	0.566	29%	0.293	S	S	*	.	H	α-helix	trans	-58.9	-31.5	178.6	53.9	0	0	0	0	113.4	F100 K106	F100-S102 PolarHBondContact O-N 2.69Å; S102-K106 VanDerWaalsContact O-CB 3.28Å; S102-K106 WeakPolarHBondContact O-CB 3.4Å; S102-K106 PolarHBondContact O-N 2.78Å
103	Q	90.2	Very high	91.3	Very high	58 Å²	58	53.9 Å²	53.9	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-74.9	-40.7	173.8	-166.7	-175	-16.2	0	0	111.4	K78 F79 F100 K101 K106 E107	K78-Q103 PolarHBondContact O-NE2 2.79Å; F79-Q103 HydrophobicContact CD1-CG 4.33Å; F100-Q103 HydrophobicContact CB-CB 4.23Å; F100-Q103 PolarHBondContact O-N 3.24Å; K101-Q103 PolarHBondContact O-N 2.77Å; Q103-K106 PolarHBondContact O-N 3.43Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.39Å; Q103-E107 PolarHBondContact NE2-OE1 3.43Å; Q103-E107 WeakPolarHBondContact O-CB 3.4Å; Q103-E107 WeakPolarHBondContact O-CG 3.3Å; Q103-E107 PolarHBondContact O-N 3.03Å
104	M	87.9	Confident	90.9	Very high	13 Å²	13	56.9 Å²	56.9	6%	0.064	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-41.3	176.6	-68.5	174.5	48.1	0	0	113.1	F79 L99 F100 K101 E107 G108 V109 E110 L113	F79-M104 HydrophobicContact CB-CG 4.49Å; F79-M104 HydrophobicContact CD1-CG 4.49Å; L99-M104 HydrophobicContact CB-SD 4.21Å; F100-M104 PolarHBondContact O-N 3.29Å; F100-M104 VanDerWaalsContact O-N 3.14Å; K101-M104 WeakPolarHBondContact O-CA 3.5Å; K101-M104 WeakPolarHBondContact O-CB 3.36Å; K101-M104 PolarHBondContact O-N 3.14Å; M104-E107 PolarHBondContact O-N 2.81Å; M104-G108 PolarHBondContact O-N 2.82Å; M104-V109 HydrophobicContact CB-CG2 3.92Å; M104-V109 HydrophobicContact CG-CG2 4.05Å; M104-V109 PolarHBondContact O-N 3.41Å; M104-V109 VanDerWaalsContact O-N 3.08Å; M104-E110 HydrophobicContact CE-CB 4.44Å; M104-E110 HydrophobicContact CE-CG 4.36Å; M104-L113 HydrophobicContact CE-CB 3.66Å; M104-L113 HydrophobicContact CE-CD2 3.43Å; M104-L113 VanDerWaalsContact CE-CD2 3.43Å; M104-L113 HydrophobicContact CE-CG 4.16Å; M104-L113 HydrophobicContact SD-CD2 3.65Å
105	E	90.4	Very high	90.4	Very high	110 Å²	110	61.9 Å²	61.9	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-51	174.2	-74.3	159.3	-154	0	0	110	K101 E107 G108 E110	K101-E105 WeakPolarHBondContact O-CG 3.44Å; K101-E105 PolarHBondContact O-N 2.75Å; E105-E107 VanDerWaalsContact C-N 3.27Å; E105-E107 PolarHBondContact O-N 3.1Å; E105-G108 PolarHBondContact O-N 2.89Å; E105-G108 VanDerWaalsContact O-N 3.13Å; E105-E110 WeakPolarHBondContact CG-OE1 3.15Å
106	K	89.8	Confident	89.9	Confident	186 Å²	186	62.2 Å²	62.2	81%	0.809	30%	0.302	S	S	*	.	H	α-helix	trans	-58.6	-35.7	177.9	-176.9	-179	177.7	-177.4	0	113.4	S102 Q103	S102-K106 VanDerWaalsContact O-CB 3.28Å; S102-K106 WeakPolarHBondContact O-CB 3.4Å; S102-K106 PolarHBondContact O-N 2.78Å; Q103-K106 PolarHBondContact O-N 3.43Å
107	E	86.8	Confident	89.6	Confident	73 Å²	73	63.1 Å²	63.1	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-93.1	-2.7	179.9	-66.7	-171.2	-131.6	0	0	113.8	K78 F79 Q103 M104 E105 V109	K78-E107 WeakPolarHBondContact CE-OE2 3.25Å; K78-E107 IonicContact NZ-OE2 3.47Å; K78-E107 PolarHBondContact NZ-OE2 2.67Å; F79-E107 HydrophobicContact CE1-CB 4.09Å; F79-E107 HydrophobicContact CE1-CG 4.35Å; F79-E107 VanDerWaalsContact CE1-OE2 3.26Å; F79-E107 WeakPolarHBondContact CE1-OE2 3.38Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.39Å; Q103-E107 PolarHBondContact NE2-OE1 3.43Å; Q103-E107 WeakPolarHBondContact O-CB 3.4Å; Q103-E107 WeakPolarHBondContact O-CG 3.3Å; Q103-E107 PolarHBondContact O-N 3.03Å; M104-E107 PolarHBondContact O-N 2.81Å; E105-E107 VanDerWaalsContact C-N 3.27Å; E105-E107 PolarHBondContact O-N 3.1Å; E107-V109 VanDerWaalsContact C-N 3.3Å; E107-V109 HydrophobicContact CB-CG1 4.25Å; E107-V109 HydrophobicContact CB-CG2 4.35Å; E107-V109 PolarHBondContact O-N 3.17Å
108	G	86.3	Confident	89.4	Confident	58 Å²	58	67.4 Å²	67.4	60%	0.598	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	18.1	177.6	0	0	0	0	0	115.4	M104 E105	M104-G108 PolarHBondContact O-N 2.82Å; E105-G108 PolarHBondContact O-N 2.89Å; E105-G108 VanDerWaalsContact O-N 3.13Å
109	V	84.5	Confident	89.1	Confident	18 Å²	18	67.4 Å²	67.4	11%	0.109	33%	0.326	C	S	.	.			trans	-95.8	8.4	-168.3	-65.2	0	0	0	0	115.2	F79 M104 E107 H111 Q112 L113	F79-V109 HydrophobicContact CD1-CG2 4.09Å; F79-V109 HydrophobicContact CE1-CB 4.38Å; F79-V109 HydrophobicContact CE1-CG1 4.23Å; F79-V109 HydrophobicContact CE1-CG2 3.46Å; F79-V109 VanDerWaalsContact CE1-CG2 3.46Å; F79-V109 HydrophobicContact CE2-CG2 4.24Å; F79-V109 HydrophobicContact CZ-CB 4.09Å; F79-V109 HydrophobicContact CZ-CG1 3.87Å; F79-V109 HydrophobicContact CZ-CG2 3.56Å; M104-V109 HydrophobicContact CB-CG2 3.92Å; M104-V109 HydrophobicContact CG-CG2 4.05Å; M104-V109 PolarHBondContact O-N 3.41Å; M104-V109 VanDerWaalsContact O-N 3.08Å; E107-V109 VanDerWaalsContact C-N 3.3Å; E107-V109 HydrophobicContact CB-CG1 4.25Å; E107-V109 HydrophobicContact CB-CG2 4.35Å; E107-V109 PolarHBondContact O-N 3.17Å; V109-H111 VanDerWaalsContact C-N 3.28Å; V109-H111 PolarHBondContact O-N 2.79Å; V109-Q112 HydrophobicContact CB-CB 4.33Å; V109-Q112 WeakPolarHBondContact O-CA 3.2Å; V109-Q112 VanDerWaalsContact O-CB 3.24Å; V109-Q112 WeakPolarHBondContact O-CB 3.18Å; V109-Q112 PolarHBondContact O-N 2.78Å; V109-L113 PolarHBondContact O-N 2.99Å; V109-L113 VanDerWaalsContact O-N 3.1Å
110	E	87.4	Confident	89	Confident	58 Å²	58	67.1 Å²	67.1	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-55.1	-41.9	-178.4	-60.2	-177.4	-171.8	0	0	113.6	M104 E105 Q112 L113 R114	M104-E110 HydrophobicContact CE-CB 4.44Å; M104-E110 HydrophobicContact CE-CG 4.36Å; E105-E110 WeakPolarHBondContact CG-OE1 3.15Å; E110-Q112 PolarHBondContact O-N 2.82Å; E110-L113 PolarHBondContact O-N 2.88Å; E110-R114 WeakPolarHBondContact O-CG 3.26Å; E110-R114 PolarHBondContact O-N 2.85Å; E110-R114 IonicContact OE2-CZ 2.67Å; E110-R114 IonicContact OE2-NH1 2.78Å; E110-R114 PolarHBondContact OE2-NH1 3.15Å; E110-R114 IonicContact OE2-NH2 2.67Å; E110-R114 PolarHBondContact OE2-NH2 3.36Å
111	H	84.4	Confident	89	Confident	134 Å²	134	64.6 Å²	64.6	62%	0.62	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-26.3	178.2	-64.7	-78	0	0	0	112.5	V109 R115	V109-H111 VanDerWaalsContact C-N 3.28Å; V109-H111 PolarHBondContact O-N 2.79Å; H111-R115 WeakPolarHBondContact O-CB 3.44Å; H111-R115 PolarHBondContact O-N 2.67Å
112	Q	81.9	Confident	88.9	Confident	50 Å²	50	68.7 Å²	68.7	23%	0.234	34%	0.338	C	S	.	.	H	α-helix	trans	-72.2	-47.4	174	-165.9	175.3	3	0	0	110.2	V109 E110 R115 E116 G211	V109-Q112 HydrophobicContact CB-CB 4.33Å; V109-Q112 WeakPolarHBondContact O-CA 3.2Å; V109-Q112 VanDerWaalsContact O-CB 3.24Å; V109-Q112 WeakPolarHBondContact O-CB 3.18Å; V109-Q112 PolarHBondContact O-N 2.78Å; E110-Q112 PolarHBondContact O-N 2.82Å; Q112-R115 PolarHBondContact O-N 3.35Å; Q112-E116 PolarHBondContact O-N 1.93Å; Q112-G211 WeakPolarHBondContact CG-O 3.24Å; Q112-G211 PolarHBondContact NE2-O 3.12Å
113	L	87.7	Confident	89	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-43.4	176.1	-177.9	65.4	0	0	0	112.4	L99 M104 V109 E110 R115 E116 I117 V141 L143	L99-L113 HydrophobicContact CD1-CD1 3.53Å; L99-L113 HydrophobicContact CD1-CD2 3.63Å; L99-L113 HydrophobicContact CD1-CG 4.24Å; M104-L113 HydrophobicContact CE-CB 3.66Å; M104-L113 HydrophobicContact CE-CD2 3.43Å; M104-L113 VanDerWaalsContact CE-CD2 3.43Å; M104-L113 HydrophobicContact CE-CG 4.16Å; M104-L113 HydrophobicContact SD-CD2 3.65Å; V109-L113 PolarHBondContact O-N 2.99Å; V109-L113 VanDerWaalsContact O-N 3.1Å; E110-L113 PolarHBondContact O-N 2.88Å; L113-R115 PolarHBondContact O-N 2.87Å; L113-E116 HydrophobicContact CD1-CB 4.48Å; L113-E116 WeakPolarHBondContact O-CB 3.16Å; L113-E116 PolarHBondContact O-N 3.14Å; L113-E116 VanDerWaalsContact O-N 3.16Å; L113-I117 HydrophobicContact CD1-CD1 4.17Å; L113-I117 HydrophobicContact CD1-CG1 4.2Å; L113-I117 HydrophobicContact CD2-CD1 4.23Å; L113-I117 HydrophobicContact CG-CD1 3.85Å; L113-I117 HydrophobicContact CG-CG1 4.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.25Å; L113-I117 PolarHBondContact O-N 3.13Å; L113-V141 HydrophobicContact CD2-CB 4.39Å; L113-V141 HydrophobicContact CD2-CG1 4.1Å; L113-L143 HydrophobicContact CD1-CD1 4.07Å
114	R	89.4	Confident	89.3	Confident	137 Å²	137	70.9 Å²	70.9	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-41	176.8	-73.2	177.9	-173.5	113.8	9.1	110.7	E110 E118	E110-R114 WeakPolarHBondContact O-CG 3.26Å; E110-R114 PolarHBondContact O-N 2.85Å; E110-R114 IonicContact OE2-CZ 2.67Å; E110-R114 IonicContact OE2-NH1 2.78Å; E110-R114 PolarHBondContact OE2-NH1 3.15Å; E110-R114 IonicContact OE2-NH2 2.67Å; E110-R114 PolarHBondContact OE2-NH2 3.36Å; R114-E118 VanDerWaalsContact O-CB 3.27Å; R114-E118 WeakPolarHBondContact O-CB 3.23Å; R114-E118 PolarHBondContact O-N 3.43Å
115	R	86.3	Confident	89.8	Confident	108 Å²	108	71.5 Å²	71.5	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-70.3	-40.8	175.8	-173.2	-176.7	-61.7	148.9	5.7	113.4	H111 Q112 L113 I117 E118 I119 S213	H111-R115 WeakPolarHBondContact O-CB 3.44Å; H111-R115 PolarHBondContact O-N 2.67Å; Q112-R115 PolarHBondContact O-N 3.35Å; L113-R115 PolarHBondContact O-N 2.87Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 3.24Å; R115-E118 PolarHBondContact O-N 3.03Å; R115-I119 HydrophobicContact CG-CD1 3.67Å; R115-I119 HydrophobicContact CG-CG1 4.18Å; R115-I119 WeakPolarHBondContact O-CB 3.44Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 2.93Å; R115-S213 WeakPolarHBondContact CD-O 3.38Å
116	E	88.4	Confident	90.1	Very high	15 Å²	15	68.4 Å²	68.4	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-56.2	-49.1	174.2	-175.5	-171	154.4	0	0	110.2	K97 Q112 L113 Q120 F210	K97-E116 IonicContact NZ-OE1 2.71Å; K97-E116 PolarHBondContact NZ-OE1 3.4Å; K97-E116 IonicContact NZ-OE2 2.68Å; Q112-E116 PolarHBondContact O-N 1.93Å; L113-E116 HydrophobicContact CD1-CB 4.48Å; L113-E116 WeakPolarHBondContact O-CB 3.16Å; L113-E116 PolarHBondContact O-N 3.14Å; L113-E116 VanDerWaalsContact O-N 3.16Å; E116-Q120 VanDerWaalsContact O-CB 3.22Å; E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 PolarHBondContact O-N 3.07Å; E116-F210 HydrophobicContact CG-CB 4.4Å
117	I	91.3	Very high	90.5	Very high	20 Å²	20	59.6 Å²	59.6	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-49.5	176.3	-66.8	170.4	0	0	0	111.4	L113 R115 I119 S121 F131 Y134 L143	L113-I117 HydrophobicContact CD1-CD1 4.17Å; L113-I117 HydrophobicContact CD1-CG1 4.2Å; L113-I117 HydrophobicContact CD2-CD1 4.23Å; L113-I117 HydrophobicContact CG-CD1 3.85Å; L113-I117 HydrophobicContact CG-CG1 4.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.25Å; L113-I117 PolarHBondContact O-N 3.13Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 3.24Å; I117-I119 PolarHBondContact O-N 3.17Å; I117-S121 WeakPolarHBondContact O-CB 3.34Å; I117-S121 PolarHBondContact O-N 2.99Å; I117-S121 VanDerWaalsContact O-N 3.09Å; I117-S121 PolarHBondContact O-OG 3.17Å; I117-F131 HydrophobicContact CB-CZ 4.38Å; I117-F131 HydrophobicContact CG1-CE2 4.11Å; I117-F131 HydrophobicContact CG1-CZ 4.2Å; I117-F131 HydrophobicContact CG2-CE1 4.48Å; I117-F131 HydrophobicContact CG2-CE2 4.45Å; I117-F131 HydrophobicContact CG2-CZ 3.84Å; I117-Y134 HydrophobicContact CD1-CD2 4.42Å; I117-Y134 HydrophobicContact CD1-CG 4.41Å; I117-Y134 HydrophobicContact CG2-CD1 3.85Å; I117-Y134 HydrophobicContact CG2-CE1 3.86Å; I117-L143 HydrophobicContact CD1-CD2 3.8Å; I117-L143 HydrophobicContact CG1-CD2 3.95Å
118	E	91.1	Very high	91	Very high	127 Å²	127	56.2 Å²	56.2	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-58.2	-48.1	-179.7	-176.6	-172.6	174.1	0	0	111.7	R114 R115 S121 H122	R114-E118 VanDerWaalsContact O-CB 3.27Å; R114-E118 WeakPolarHBondContact O-CB 3.23Å; R114-E118 PolarHBondContact O-N 3.43Å; R115-E118 PolarHBondContact O-N 3.03Å; E118-S121 PolarHBondContact O-OG 3.32Å; E118-H122 PolarHBondContact O-ND1 3.4Å
119	I	90.4	Very high	91.6	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-60.2	179	-68.3	176.4	0	0	0	110	R115 I117 S121 H122 L123 V187 F210	R115-I119 HydrophobicContact CG-CD1 3.67Å; R115-I119 HydrophobicContact CG-CG1 4.18Å; R115-I119 WeakPolarHBondContact O-CB 3.44Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 2.93Å; I117-I119 PolarHBondContact O-N 3.17Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 3.17Å; I119-H122 PolarHBondContact O-N 2.99Å; I119-L123 HydrophobicContact CG2-CD1 3.83Å; I119-L123 HydrophobicContact CG2-CG 4.38Å; I119-L123 WeakPolarHBondContact O-CG 3.4Å; I119-V187 HydrophobicContact CG2-CG1 3.74Å; I119-V187 HydrophobicContact CG2-CG2 4.02Å; I119-F210 HydrophobicContact CG2-CD1 3.92Å
120	Q	93.5	Very high	92.2	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-68.3	-30.4	-166.2	-160.2	-179.1	6.7	0	0	113.3	E116 H122 L123 L129 F131 A208 F210	E116-Q120 VanDerWaalsContact O-CB 3.22Å; E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 PolarHBondContact O-N 3.07Å; Q120-H122 PolarHBondContact O-N 3.28Å; Q120-L123 PolarHBondContact O-N 2.83Å; Q120-L129 PolarHBondContact NE2-O 2.98Å; Q120-L129 VanDerWaalsContact NE2-O 3.07Å; Q120-F131 HydrophobicContact CB-CB 4.24Å; Q120-F131 HydrophobicContact CG-CB 3.92Å; Q120-A208 PolarHBondContact NE2-O 2.86Å; Q120-F210 HydrophobicContact CB-CD2 4.35Å; Q120-F210 HydrophobicContact CB-CG 4.44Å; Q120-F210 HydrophobicContact CG-CD2 3.83Å; Q120-F210 HydrophobicContact CG-CE2 4.22Å; Q120-F210 HydrophobicContact CG-CG 4.4Å
121	S	93.4	Very high	92.6	Very high	32 Å²	32	53 Å²	53	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-33.7	176.4	59	0	0	0	0	113.2	I117 E118 I119 R130	I117-S121 WeakPolarHBondContact O-CB 3.34Å; I117-S121 PolarHBondContact O-N 2.99Å; I117-S121 VanDerWaalsContact O-N 3.09Å; I117-S121 PolarHBondContact O-OG 3.17Å; E118-S121 PolarHBondContact O-OG 3.32Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 3.17Å; S121-R130 PolarHBondContact O-NH1 3Å
122	H	93.3	Very high	93.1	Very high	137 Å²	137	50.9 Å²	50.9	63%	0.634	22%	0.223	S	C	*	.	H	α-helix	trans	-86.6	-13	179.4	-64.4	97.2	0	0	0	113.9	E118 I119 Q120	E118-H122 PolarHBondContact O-ND1 3.4Å; I119-H122 PolarHBondContact O-N 2.99Å; Q120-H122 PolarHBondContact O-N 3.28Å
123	L	94.9	Very high	93.8	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	23%	0.228	C	C	.	.			trans	-82.6	127.6	178.9	-58.5	177.1	0	0	0	111.8	I119 Q120 I128 R130 Y181 F210	I119-L123 HydrophobicContact CG2-CD1 3.83Å; I119-L123 HydrophobicContact CG2-CG 4.38Å; I119-L123 WeakPolarHBondContact O-CG 3.4Å; Q120-L123 PolarHBondContact O-N 2.83Å; L123-I128 HydrophobicContact CB-CD1 4.25Å; L123-I128 HydrophobicContact CB-CG2 4.19Å; L123-I128 HydrophobicContact CD1-CD1 4.28Å; L123-I128 HydrophobicContact CD1-CG2 4.49Å; L123-R130 PolarHBondContact O-NH1 3Å; L123-Y181 HydrophobicContact CB-CE1 4.14Å; L123-Y181 HydrophobicContact CD2-CD1 4.29Å; L123-Y181 HydrophobicContact CD2-CE1 3.69Å; L123-F210 HydrophobicContact CD1-CD1 3.78Å; L123-F210 HydrophobicContact CD1-CE1 3.23Å; L123-F210 HydrophobicContact CD1-CE2 4.37Å; L123-F210 HydrophobicContact CD1-CZ 3.58Å
124	R	96.1	Very high	94.2	Very high	178 Å²	178	56.2 Å²	56.2	67%	0.672	25%	0.245	S	C	*	.			trans	-137.2	87.6	-178.4	-64.8	-175.4	-173.1	-159	3.8	109.6	Y181	R124-Y181 PolarHBondContact N-OH 3.2Å; R124-Y181 WeakPolarHBondContact O-CE2 3.49Å; R124-Y181 PolarHBondContact O-OH 3.16Å
125	H	97.6	Very high	94.5	Very high	26 Å²	26	50.4 Å²	50.4	12%	0.12	22%	0.224	C	C	.	.			trans	-141.4	143.2	178.9	-173.2	-85.3	0	0	0	109.4	N127 I128 E174 D177 A178 Y181 R324	H125-N127 VanDerWaalsContact CE1-CB 3.42Å; H125-N127 WeakPolarHBondContact CE1-CB 3.47Å; H125-N127 PolarHBondContact CE1-OD1 2.91Å; H125-N127 PolarHBondContact ND1-N 3.46Å; H125-N127 PolarHBondContact O-N 3.36Å; H125-I128 HydrophobicContact CB-CB 4.17Å; H125-I128 HydrophobicContact CB-CD1 3.77Å; H125-I128 HydrophobicContact CB-CG1 3.89Å; H125-I128 PolarHBondContact O-N 3.15Å; H125-I128 VanDerWaalsContact O-N 3.16Å; H125-E174 PolarHBondContact CE1-O 3.19Å; H125-D177 IonicContact CD2-OD1 2.92Å; H125-D177 IonicContact CE1-OD1 2.61Å; H125-D177 IonicContact CE1-OD2 3.64Å; H125-D177 PolarHBondContact CE1-OD2 2.84Å; H125-D177 VanDerWaalsContact NE2-CB 3.34Å; H125-D177 WeakPolarHBondContact NE2-CB 3.31Å; H125-D177 PolarHBondContact NE2-O 3.29Å; H125-D177 IonicContact NE2-OD1 3.33Å; H125-D177 PolarHBondContact NE2-OD1 3.2Å; H125-D177 IonicContact NE2-OD2 2.73Å; H125-D177 PolarHBondContact NE2-OD2 2.65Å; H125-A178 PolarHBondContact CE1-N 2.85Å; H125-Y181 HydrophobicContact CB-CD1 3.97Å; H125-Y181 HydrophobicContact CB-CD2 4.28Å; H125-Y181 HydrophobicContact CB-CE1 4.25Å; H125-Y181 HydrophobicContact CB-CG 4.01Å; H125-Y181 AromaticContact CD2-CD2 3.88Å; H125-Y181 AromaticContact CD2-CG 3.75Å; H125-R324 PolarHBondContact CE1-NH2 2.75Å
126	P	97.5	Very high	95	Very high	46 Å²	46	51 Å²	51	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	-178.4	21.5	-34.7	0	0	0	114.1	K206 L326 P327	P126-K206 WeakPolarHBondContact O-CD 3.42Å; P126-K206 VanDerWaalsContact O-CE 3.23Å; P126-K206 WeakPolarHBondContact O-CE 3.26Å; P126-K206 PolarHBondContact O-NZ 2.91Å; P126-L326 HydrophobicContact CG-CD2 4.14Å; P126-P327 HydrophobicContact CB-CG 3.92Å
127	N	98.3	Very high	95.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	17.5	-178.4	-62	105.6	0	0	0	113.7	H125 E174 A178 L205 K206 I207 R324	H125-N127 VanDerWaalsContact CE1-CB 3.42Å; H125-N127 WeakPolarHBondContact CE1-CB 3.47Å; H125-N127 PolarHBondContact CE1-OD1 2.91Å; H125-N127 PolarHBondContact ND1-N 3.46Å; H125-N127 PolarHBondContact O-N 3.36Å; N127-E174 HydrophobicContact CB-CB 4.27Å; N127-E174 WeakPolarHBondContact ND2-CG 3.45Å; N127-E174 PolarHBondContact ND2-OE1 2.94Å; N127-A178 HydrophobicContact CB-CB 4.03Å; N127-L205 WeakPolarHBondContact CA-O 3.26Å; N127-L205 VanDerWaalsContact CB-O 3.25Å; N127-L205 WeakPolarHBondContact CB-O 3.44Å; N127-L205 PolarHBondContact ND2-O 2.81Å; N127-K206 WeakPolarHBondContact O-CA 3.43Å; N127-I207 PolarHBondContact O-N 2.97Å; N127-R324 PolarHBondContact OD1-NH2 3.41Å
128	I	98.2	Very high	95.5	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.015	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-112.6	134.1	166.7	-63.1	176.7	0	0	0	108.1	L123 H125 R130 A178 Y181 C182 I207 F210	L123-I128 HydrophobicContact CB-CD1 4.25Å; L123-I128 HydrophobicContact CB-CG2 4.19Å; L123-I128 HydrophobicContact CD1-CD1 4.28Å; L123-I128 HydrophobicContact CD1-CG2 4.49Å; H125-I128 HydrophobicContact CB-CB 4.17Å; H125-I128 HydrophobicContact CB-CD1 3.77Å; H125-I128 HydrophobicContact CB-CG1 3.89Å; H125-I128 PolarHBondContact O-N 3.15Å; H125-I128 VanDerWaalsContact O-N 3.16Å; I128-R130 PolarHBondContact O-N 3.19Å; I128-A178 HydrophobicContact CG1-CB 3.98Å; I128-Y181 HydrophobicContact CD1-CD1 3.83Å; I128-Y181 HydrophobicContact CD1-CE1 4.27Å; I128-C182 VanDerWaalsContact CD1-SG 3.59Å; I128-I207 HydrophobicContact CG1-CB 4.49Å; I128-I207 HydrophobicContact CG1-CD1 4.42Å; I128-F210 HydrophobicContact CD1-CZ 4.37Å; I128-F210 HydrophobicContact CG1-CZ 4.45Å; I128-F210 HydrophobicContact CG2-CE2 3.75Å; I128-F210 HydrophobicContact CG2-CZ 3.72Å
129	L	97.4	Very high	95.7	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-63.5	117.1	178	-166.2	77.2	0	0	0	109.4	Q120 F131 L145 E146 A148 L198 K206 I207 A208	Q120-L129 PolarHBondContact NE2-O 2.98Å; Q120-L129 VanDerWaalsContact NE2-O 3.07Å; L129-F131 PolarHBondContact O-N 3.46Å; L129-L145 HydrophobicContact CD2-CB 4.39Å; L129-L145 HydrophobicContact CD2-CD1 4.44Å; L129-E146 HydrophobicContact CD1-CB 3.87Å; L129-E146 HydrophobicContact CD1-CG 4.14Å; L129-E146 HydrophobicContact CG-CB 4.1Å; L129-A148 HydrophobicContact CD1-CB 4.09Å; L129-L198 HydrophobicContact CD1-CD1 4.19Å; L129-L198 HydrophobicContact CD2-CD1 3.96Å; L129-K206 HydrophobicContact CB-CB 4.36Å; L129-K206 HydrophobicContact CD1-CB 4.1Å; L129-K206 HydrophobicContact CD1-CG 4.34Å; L129-I207 VanDerWaalsContact CB-O 3.26Å; L129-I207 WeakPolarHBondContact CB-O 3.31Å; L129-I207 PolarHBondContact N-O 2.7Å; L129-A208 HydrophobicContact CB-CB 4.24Å; L129-A208 HydrophobicContact CD2-CB 3.88Å
130	R	96.8	Very high	96	Very high	55 Å²	55	57.7 Å²	57.7	21%	0.208	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.8	123.3	-172.1	-174.5	65.6	-174.9	124.9	21	111.3	S121 L123 I128 Y132 L145 E146	S121-R130 PolarHBondContact O-NH1 3Å; L123-R130 PolarHBondContact O-NH1 3Å; I128-R130 PolarHBondContact O-N 3.19Å; R130-Y132 HydrophobicContact CB-CE1 4.23Å; R130-Y132 HydrophobicContact CG-CD1 3.9Å; R130-Y132 HydrophobicContact CG-CE1 3.66Å; R130-L145 CarbonylContact O-C 3.5Å; R130-L145 WeakPolarHBondContact O-CA 3.22Å; R130-E146 HydrophobicContact CB-CB 4.03Å; R130-E146 PolarHBondContact N-OE2 3.36Å; R130-E146 PolarHBondContact O-N 3.31Å
131	F	96.6	Very high	96.1	Very high	5 Å²	5	58.6 Å²	58.6	2%	0.022	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.9	163.5	-174.7	-78.4	0	0	0	109.1	I117 Q120 L129 Y134 L143 L145	I117-F131 HydrophobicContact CB-CZ 4.38Å; I117-F131 HydrophobicContact CG1-CE2 4.11Å; I117-F131 HydrophobicContact CG1-CZ 4.2Å; I117-F131 HydrophobicContact CG2-CE1 4.48Å; I117-F131 HydrophobicContact CG2-CE2 4.45Å; I117-F131 HydrophobicContact CG2-CZ 3.84Å; Q120-F131 HydrophobicContact CB-CB 4.24Å; Q120-F131 HydrophobicContact CG-CB 3.92Å; L129-F131 PolarHBondContact O-N 3.46Å; F131-Y134 HydrophobicContact CE1-CD1 4.22Å; F131-Y134 AromaticContact CZ-CD1 3.9Å; F131-Y134 HydrophobicContact CZ-CD1 3.9Å; F131-Y134 HydrophobicContact CZ-CG 4.29Å; F131-L143 HydrophobicContact CE2-CB 4.09Å; F131-L143 HydrophobicContact CE2-CD1 4.26Å; F131-L143 HydrophobicContact CE2-CD2 4.21Å; F131-L143 HydrophobicContact CE2-CG 4.41Å; F131-L145 HydrophobicContact CB-CD2 4.22Å; F131-L145 HydrophobicContact CD2-CD2 3.62Å; F131-L145 HydrophobicContact CE2-CD2 4.42Å; F131-L145 HydrophobicContact CG-CD2 4.22Å
132	Y	95.5	Very high	96.3	Very high	88 Å²	88	57.2 Å²	57.2	35%	0.345	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-53.9	179.4	-63	-61.2	0	0	0	111.9	F92 V94 R130 I144 E146	F92-Y132 AromaticContact CE1-CE2 3.92Å; F92-Y132 HydrophobicContact CE1-CE2 3.92Å; F92-Y132 AromaticContact CE1-CZ 3.85Å; V94-Y132 HydrophobicContact CG1-CD2 4.19Å; V94-Y132 HydrophobicContact CG1-CE2 4.13Å; R130-Y132 HydrophobicContact CB-CE1 4.23Å; R130-Y132 HydrophobicContact CG-CD1 3.9Å; R130-Y132 HydrophobicContact CG-CE1 3.66Å; Y132-I144 WeakPolarHBondContact CB-O 3.28Å; Y132-I144 HydrophobicContact CD2-CG2 4.19Å; Y132-I144 PolarHBondContact N-O 3.15Å; Y132-E146 HydrophobicContact CE2-CB 4.23Å
133	N	95.3	Very high	96.4	Very high	65 Å²	65	50.7 Å²	50.7	35%	0.348	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	178.9	179.7	-149.8	-22	0	0	0	110.5	F63 I144	F63-N133 HydrophobicContact CE2-CB 4.4Å; N133-I144 HydrophobicContact CB-CD1 4.16Å; N133-I144 PolarHBondContact N-O 3.01Å; N133-I144 WeakPolarHBondContact O-CB 3.21Å; N133-I144 PolarHBondContact O-N 2.9Å
134	Y	95.9	Very high	96.5	Very high	113 Å²	113	50.8 Å²	50.8	44%	0.443	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164	168.2	70.9	-76.1	0	0	0	111.6	I117 F131 F142	I117-Y134 HydrophobicContact CD1-CD2 4.42Å; I117-Y134 HydrophobicContact CD1-CG 4.41Å; I117-Y134 HydrophobicContact CG2-CD1 3.85Å; I117-Y134 HydrophobicContact CG2-CE1 3.86Å; F131-Y134 HydrophobicContact CE1-CD1 4.22Å; F131-Y134 AromaticContact CZ-CD1 3.9Å; F131-Y134 HydrophobicContact CZ-CD1 3.9Å; F131-Y134 HydrophobicContact CZ-CG 4.29Å; Y134-F142 CarbonylContact C-O 3.44Å; Y134-F142 WeakPolarHBondContact CA-O 3.43Å; Y134-F142 VanDerWaalsContact CB-O 3.28Å; Y134-F142 WeakPolarHBondContact CB-O 3.49Å
135	F	96.4	Very high	96.6	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.066	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	174.2	166.5	61	-82.9	0	0	0	109.9	F63 T64 I65 F68 L96 F142 I144	F63-F135 HydrophobicContact CB-CB 4.04Å; F63-F135 HydrophobicContact CB-CD1 3.56Å; F63-F135 HydrophobicContact CB-CE1 4.16Å; F63-F135 HydrophobicContact CB-CG 3.88Å; F63-F135 WeakPolarHBondContact O-CB 3.49Å; F63-F135 WeakPolarHBondContact O-CG 3.42Å; T64-F135 VanDerWaalsContact C-CE2 3.46Å; I65-F135 HydrophobicContact CB-CE2 4.35Å; F68-F135 HydrophobicContact CD2-CE1 4.25Å; F68-F135 HydrophobicContact CD2-CZ 4.15Å; F68-F135 AromaticContact CE2-CE1 3.55Å; F68-F135 HydrophobicContact CE2-CE1 3.55Å; F68-F135 AromaticContact CE2-CZ 3.89Å; F68-F135 HydrophobicContact CE2-CZ 3.89Å; F68-F135 HydrophobicContact CZ-CE1 4.25Å; L96-F135 HydrophobicContact CD1-CE1 4.02Å; L96-F135 HydrophobicContact CD1-CZ 4.31Å; F135-F142 HydrophobicContact CD1-CB 3.87Å; F135-F142 HydrophobicContact CD2-CB 3.97Å; F135-F142 AromaticContact CD2-CD2 3.52Å; F135-F142 HydrophobicContact CD2-CD2 3.52Å; F135-F142 HydrophobicContact CD2-CE2 4.18Å; F135-F142 AromaticContact CD2-CG 3.9Å; F135-F142 HydrophobicContact CD2-CG 3.9Å; F135-F142 HydrophobicContact CE1-CB 3.57Å; F135-F142 HydrophobicContact CE1-CG 4.15Å; F135-F142 HydrophobicContact CE2-CB 3.67Å; F135-F142 AromaticContact CE2-CD1 3.92Å; F135-F142 HydrophobicContact CE2-CD1 3.92Å; F135-F142 AromaticContact CE2-CD2 3.27Å; F135-F142 HydrophobicContact CE2-CD2 3.27Å; F135-F142 HydrophobicContact CE2-CE1 4.36Å; F135-F142 AromaticContact CE2-CE2 3.77Å; F135-F142 HydrophobicContact CE2-CE2 3.77Å; F135-F142 AromaticContact CE2-CG 3.35Å; F135-F142 HydrophobicContact CE2-CG 3.35Å; F135-F142 HydrophobicContact CE2-CZ 4.27Å; F135-F142 HydrophobicContact CG-CB 4.06Å; F135-F142 HydrophobicContact CG-CD2 4.35Å; F135-F142 HydrophobicContact CG-CG 4.5Å; F135-F142 HydrophobicContact CZ-CB 3.47Å; F135-F142 VanDerWaalsContact CZ-CB 3.47Å; F135-F142 AromaticContact CZ-CD1 3.85Å; F135-F142 HydrophobicContact CZ-CD1 3.85Å; F135-F142 AromaticContact CZ-CD2 3.96Å; F135-F142 HydrophobicContact CZ-CD2 3.96Å; F135-F142 AromaticContact CZ-CG 3.51Å; F135-F142 HydrophobicContact CZ-CG 3.51Å; F135-F142 PolarHBondContact N-O 2.82Å; F135-F142 PolarHBondContact O-N 3.41Å; F135-I144 HydrophobicContact CD1-CD1 3.79Å; F135-I144 HydrophobicContact CD1-CG1 4.19Å; F135-I144 HydrophobicContact CE1-CD1 3.86Å; F135-I144 HydrophobicContact CE1-CG1 3.95Å
136	H	95.9	Very high	96.6	Very high	120 Å²	120	43.5 Å²	43.5	56%	0.556	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.3	174.9	69.1	77.8	0	0	0	110.2	R140 V141	H136-R140 VanDerWaalsContact CA-O 3.26Å; H136-R140 WeakPolarHBondContact CA-O 3.28Å; H136-R140 VanDerWaalsContact CB-O 3.28Å; H136-R140 WeakPolarHBondContact CB-O 3.34Å; H136-V141 HydrophobicContact CB-CG2 4.18Å
137	D	95.6	Very high	96.6	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	20%	0.2	C	C	.	.			trans	-107.9	-150.6	165.6	64.6	32	0	0	0	109.6	K101 S139 R140 F142	K101-D137 WeakPolarHBondContact CE-O 3.38Å; K101-D137 PolarHBondContact NZ-O 3.21Å; D137-S139 PolarHBondContact OD1-N 3.29Å; D137-S139 PolarHBondContact OD1-OG 3.09Å; D137-R140 PolarHBondContact N-O 2.98Å; D137-R140 PolarHBondContact OD1-N 2.9Å; D137-R140 IonicContact OD1-NE 3.94Å; D137-R140 IonicContact OD2-CZ 3.99Å; D137-R140 VanDerWaalsContact OD2-CZ 3.22Å; D137-R140 IonicContact OD2-NE 3.36Å; D137-R140 PolarHBondContact OD2-NE 2.87Å; D137-R140 IonicContact OD2-NH2 3.95Å; D137-R140 PolarHBondContact OD2-NH2 3.48Å; D137-F142 HydrophobicContact CB-CE2 4.35Å; D137-F142 WeakPolarHBondContact OD2-CE2 3.27Å; D137-F142 WeakPolarHBondContact OD2-CZ 3.33Å
138	H	95.5	Very high	96.5	Very high	158 Å²	158	44.6 Å²	44.6	73%	0.731	20%	0.204	S	C	*	.	S	Bend	trans	-70.8	-41.5	175.8	63.2	-84.6	0	0	0	112.1	K101	K101-H138 WeakPolarHBondContact CD-O 3.47Å; K101-H138 WeakPolarHBondContact CE-O 3.37Å; K101-H138 PolarHBondContact NZ-O 2.95Å
139	S	95.6	Very high	96.4	Very high	41 Å²	41	46.8 Å²	46.8	29%	0.287	22%	0.219	S	C	.	.	S	Bend	trans	-111.5	-15.9	-169.5	49.4	0	0	0	0	114.8	K101 D137	K101-S139 WeakPolarHBondContact CG-O 3.39Å; K101-S139 PolarHBondContact N-O 3.49Å; D137-S139 PolarHBondContact OD1-N 3.29Å; D137-S139 PolarHBondContact OD1-OG 3.09Å
140	R	96.4	Very high	96.3	Very high	76 Å²	76	52 Å²	52	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.1	-170.8	-62.1	171.4	-64.5	-172.2	3.4	113.1	V98 L99 F100 H136 D137 F142	V98-R140 HydrophobicContact CG1-CB 4.31Å; V98-R140 HydrophobicContact CG1-CG 4.28Å; L99-R140 CarbonylContact O-C 3.32Å; L99-R140 VanDerWaalsContact O-CA 3.23Å; L99-R140 WeakPolarHBondContact O-CA 3.17Å; F100-R140 HydrophobicContact CD1-CG 3.92Å; F100-R140 HydrophobicContact CE1-CG 4.05Å; H136-R140 VanDerWaalsContact CA-O 3.26Å; H136-R140 WeakPolarHBondContact CA-O 3.28Å; H136-R140 VanDerWaalsContact CB-O 3.28Å; H136-R140 WeakPolarHBondContact CB-O 3.34Å; D137-R140 PolarHBondContact N-O 2.98Å; D137-R140 PolarHBondContact OD1-N 2.9Å; D137-R140 IonicContact OD1-NE 3.94Å; D137-R140 IonicContact OD2-CZ 3.99Å; D137-R140 VanDerWaalsContact OD2-CZ 3.22Å; D137-R140 IonicContact OD2-NE 3.36Å; D137-R140 PolarHBondContact OD2-NE 2.87Å; D137-R140 IonicContact OD2-NH2 3.95Å; D137-R140 PolarHBondContact OD2-NH2 3.48Å; R140-F142 HydrophobicContact CB-CD2 4.39Å; R140-F142 HydrophobicContact CB-CE2 3.69Å; R140-F142 HydrophobicContact CB-CZ 3.85Å
141	V	96.1	Very high	96.3	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.121	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.3	165	-177.1	0	0	0	0	108.2	L99 K101 L113 H136 L143	L99-V141 HydrophobicContact CB-CB 4.42Å; L99-V141 PolarHBondContact N-O 2.78Å; L99-V141 PolarHBondContact O-N 2.81Å; K101-V141 HydrophobicContact CG-CG2 4.13Å; L113-V141 HydrophobicContact CD2-CB 4.39Å; L113-V141 HydrophobicContact CD2-CG1 4.1Å; H136-V141 HydrophobicContact CB-CG2 4.18Å; V141-L143 HydrophobicContact CG1-CD2 3.98Å
142	F	96.7	Very high	96.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.1	-176.2	-58.7	-98.8	0	0	0	109.2	I65 L96 K97 V98 Y134 F135 D137 R140	I65-F142 HydrophobicContact CB-CZ 4.42Å; I65-F142 HydrophobicContact CD1-CD1 4.17Å; I65-F142 HydrophobicContact CD1-CE1 3.7Å; I65-F142 HydrophobicContact CD1-CZ 4.41Å; I65-F142 HydrophobicContact CG1-CE1 4.28Å; L96-F142 HydrophobicContact CD1-CB 4.19Å; L96-F142 HydrophobicContact CD2-CD1 4Å; L96-F142 HydrophobicContact CG-CD1 4.26Å; K97-F142 WeakPolarHBondContact O-CA 3.26Å; V98-F142 HydrophobicContact CB-CD1 4.43Å; V98-F142 HydrophobicContact CG1-CD1 4.11Å; V98-F142 HydrophobicContact CG1-CE1 3.84Å; V98-F142 HydrophobicContact CG1-CZ 4.45Å; V98-F142 HydrophobicContact CG2-CD1 3.82Å; V98-F142 HydrophobicContact CG2-CE1 4.01Å; Y134-F142 CarbonylContact C-O 3.44Å; Y134-F142 WeakPolarHBondContact CA-O 3.43Å; Y134-F142 VanDerWaalsContact CB-O 3.28Å; Y134-F142 WeakPolarHBondContact CB-O 3.49Å; F135-F142 HydrophobicContact CD1-CB 3.87Å; F135-F142 HydrophobicContact CD2-CB 3.97Å; F135-F142 AromaticContact CD2-CD2 3.52Å; F135-F142 HydrophobicContact CD2-CD2 3.52Å; F135-F142 HydrophobicContact CD2-CE2 4.18Å; F135-F142 AromaticContact CD2-CG 3.9Å; F135-F142 HydrophobicContact CD2-CG 3.9Å; F135-F142 HydrophobicContact CE1-CB 3.57Å; F135-F142 HydrophobicContact CE1-CG 4.15Å; F135-F142 HydrophobicContact CE2-CB 3.67Å; F135-F142 AromaticContact CE2-CD1 3.92Å; F135-F142 HydrophobicContact CE2-CD1 3.92Å; F135-F142 AromaticContact CE2-CD2 3.27Å; F135-F142 HydrophobicContact CE2-CD2 3.27Å; F135-F142 HydrophobicContact CE2-CE1 4.36Å; F135-F142 AromaticContact CE2-CE2 3.77Å; F135-F142 HydrophobicContact CE2-CE2 3.77Å; F135-F142 AromaticContact CE2-CG 3.35Å; F135-F142 HydrophobicContact CE2-CG 3.35Å; F135-F142 HydrophobicContact CE2-CZ 4.27Å; F135-F142 HydrophobicContact CG-CB 4.06Å; F135-F142 HydrophobicContact CG-CD2 4.35Å; F135-F142 HydrophobicContact CG-CG 4.5Å; F135-F142 HydrophobicContact CZ-CB 3.47Å; F135-F142 VanDerWaalsContact CZ-CB 3.47Å; F135-F142 AromaticContact CZ-CD1 3.85Å; F135-F142 HydrophobicContact CZ-CD1 3.85Å; F135-F142 AromaticContact CZ-CD2 3.96Å; F135-F142 HydrophobicContact CZ-CD2 3.96Å; F135-F142 AromaticContact CZ-CG 3.51Å; F135-F142 HydrophobicContact CZ-CG 3.51Å; F135-F142 PolarHBondContact N-O 2.82Å; F135-F142 PolarHBondContact O-N 3.41Å; D137-F142 HydrophobicContact CB-CE2 4.35Å; D137-F142 WeakPolarHBondContact OD2-CE2 3.27Å; D137-F142 WeakPolarHBondContact OD2-CZ 3.33Å; R140-F142 HydrophobicContact CB-CD2 4.39Å; R140-F142 HydrophobicContact CB-CE2 3.69Å; R140-F142 HydrophobicContact CB-CZ 3.85Å
143	L	96.3	Very high	96.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.6	172.4	-39.4	-174.5	0	0	0	109	L96 K97 L99 L113 I117 F131 V141 L145	L96-L143 WeakPolarHBondContact CA-O 3.47Å; K97-L143 HydrophobicContact CB-CB 4.23Å; K97-L143 HydrophobicContact CB-CG 4.49Å; K97-L143 HydrophobicContact CD-CD1 4.09Å; K97-L143 PolarHBondContact N-O 3.43Å; K97-L143 PolarHBondContact O-N 2.74Å; L99-L143 HydrophobicContact CD1-CD1 4.24Å; L99-L143 HydrophobicContact CD1-CG 4.26Å; L113-L143 HydrophobicContact CD1-CD1 4.07Å; I117-L143 HydrophobicContact CD1-CD2 3.8Å; I117-L143 HydrophobicContact CG1-CD2 3.95Å; F131-L143 HydrophobicContact CE2-CB 4.09Å; F131-L143 HydrophobicContact CE2-CD1 4.26Å; F131-L143 HydrophobicContact CE2-CD2 4.21Å; F131-L143 HydrophobicContact CE2-CG 4.41Å; V141-L143 HydrophobicContact CG1-CD2 3.98Å; L143-L145 HydrophobicContact CB-CD2 4.19Å; L143-L145 HydrophobicContact CB-CG 4.21Å
144	I	97.3	Very high	96.3	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.046	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.6	178.5	-54.9	159.9	0	0	0	107.2	F63 F68 V94 L96 Y132 N133 F135	F63-I144 HydrophobicContact CB-CD1 4.39Å; F63-I144 HydrophobicContact CD1-CD1 4.21Å; F63-I144 HydrophobicContact CD2-CD1 4.25Å; F63-I144 HydrophobicContact CG-CD1 4.04Å; F68-I144 HydrophobicContact CE1-CG2 4.47Å; F68-I144 HydrophobicContact CE2-CD1 4.28Å; F68-I144 HydrophobicContact CZ-CD1 3.64Å; F68-I144 HydrophobicContact CZ-CG1 3.98Å; V94-I144 HydrophobicContact CB-CG2 4.08Å; V94-I144 HydrophobicContact CG1-CG2 3.98Å; V94-I144 HydrophobicContact CG2-CG2 4.14Å; L96-I144 HydrophobicContact CD1-CG1 3.79Å; Y132-I144 WeakPolarHBondContact CB-O 3.28Å; Y132-I144 HydrophobicContact CD2-CG2 4.19Å; Y132-I144 PolarHBondContact N-O 3.15Å; N133-I144 HydrophobicContact CB-CD1 4.16Å; N133-I144 PolarHBondContact N-O 3.01Å; N133-I144 WeakPolarHBondContact O-CB 3.21Å; N133-I144 PolarHBondContact O-N 2.9Å; F135-I144 HydrophobicContact CD1-CD1 3.79Å; F135-I144 HydrophobicContact CD1-CG1 4.19Å; F135-I144 HydrophobicContact CE1-CD1 3.86Å; F135-I144 HydrophobicContact CE1-CG1 3.95Å
145	L	97.4	Very high	96.2	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	159.6	-170.2	-56.1	176.3	0	0	0	111.5	V94 A95 K97 L129 R130 F131 L143	V94-L145 WeakPolarHBondContact CB-O 3.4Å; A95-L145 HydrophobicContact CB-CB 4.27Å; A95-L145 PolarHBondContact N-O 2.89Å; A95-L145 PolarHBondContact O-N 3.19Å; K97-L145 HydrophobicContact CB-CD1 3.99Å; K97-L145 HydrophobicContact CD-CD1 4.19Å; L129-L145 HydrophobicContact CD2-CB 4.39Å; L129-L145 HydrophobicContact CD2-CD1 4.44Å; R130-L145 CarbonylContact O-C 3.5Å; R130-L145 WeakPolarHBondContact O-CA 3.22Å; F131-L145 HydrophobicContact CB-CD2 4.22Å; F131-L145 HydrophobicContact CD2-CD2 3.62Å; F131-L145 HydrophobicContact CE2-CD2 4.42Å; F131-L145 HydrophobicContact CG-CD2 4.22Å; L143-L145 HydrophobicContact CB-CD2 4.19Å; L143-L145 HydrophobicContact CB-CG 4.21Å
146	E	97.2	Very high	96.3	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	135.9	165.7	-179.7	173.1	-157.6	0	0	111	L129 R130 Y132 K206	L129-E146 HydrophobicContact CD1-CB 3.87Å; L129-E146 HydrophobicContact CD1-CG 4.14Å; L129-E146 HydrophobicContact CG-CB 4.1Å; R130-E146 HydrophobicContact CB-CB 4.03Å; R130-E146 PolarHBondContact N-OE2 3.36Å; R130-E146 PolarHBondContact O-N 3.31Å; Y132-E146 HydrophobicContact CE2-CB 4.23Å; E146-K206 VanDerWaalsContact OE1-CE 3.3Å; E146-K206 WeakPolarHBondContact OE1-CE 3.27Å; E146-K206 IonicContact OE1-NZ 3.62Å; E146-K206 PolarHBondContact OE1-NZ 2.93Å; E146-K206 WeakPolarHBondContact OE2-CE 3.22Å; E146-K206 IonicContact OE2-NZ 3.94Å; E146-K206 PolarHBondContact OE2-NZ 3.38Å
147	Y	97.4	Very high	96.4	Very high	58 Å²	58	44.9 Å²	44.9	23%	0.227	22%	0.215	C	C	.	.			trans	-85.2	116.9	172.3	178.1	-131	0	0	0	110	L74 V84 I93 P149	L74-Y147 HydrophobicContact CD1-CD2 3.71Å; L74-Y147 HydrophobicContact CD1-CE2 3.58Å; L74-Y147 HydrophobicContact CD2-CE2 3.7Å; L74-Y147 HydrophobicContact CG-CE2 4.3Å; V84-Y147 HydrophobicContact CG2-CD1 4.4Å; V84-Y147 HydrophobicContact CG2-CD2 4.33Å; V84-Y147 HydrophobicContact CG2-CE1 4.3Å; V84-Y147 HydrophobicContact CG2-CE2 4.29Å; V84-Y147 HydrophobicContact CG2-CG 4.41Å; I93-Y147 HydrophobicContact CG2-CD1 3.56Å; I93-Y147 HydrophobicContact CG2-CE1 4.26Å; I93-Y147 HydrophobicContact CG2-CG 4.02Å; Y147-P149 HydrophobicContact CD1-CB 4.29Å; Y147-P149 HydrophobicContact CE1-CB 3.74Å; Y147-P149 VanDerWaalsContact O-CD 3.25Å; Y147-P149 WeakPolarHBondContact O-CD 3.36Å
148	A	97.3	Very high	96.4	Very high	10 Å²	10	47.9 Å²	47.9	8%	0.083	23%	0.228	C	C	.	.			trans	-94.3	98	172.2	0	0	0	0	0	109.6	L129 R150 G151 L198 L199	L129-A148 HydrophobicContact CD1-CB 4.09Å; A148-R150 VanDerWaalsContact C-N 3.3Å; A148-R150 PolarHBondContact O-N 3.43Å; A148-G151 PolarHBondContact O-N 2.97Å; A148-L198 HydrophobicContact CB-CB 3.58Å; A148-L198 HydrophobicContact CB-CD1 3.96Å; A148-L198 HydrophobicContact CB-CG 4.4Å; A148-L199 CarbonylContact C-O 3.53Å
149	P	95.5	Very high	96.5	Very high	49 Å²	49	48.4 Å²	48.4	32%	0.318	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.5	-166.2	29.2	-38	0	0	0	114.3	Y147 G151 L201	Y147-P149 HydrophobicContact CD1-CB 4.29Å; Y147-P149 HydrophobicContact CE1-CB 3.74Å; Y147-P149 VanDerWaalsContact O-CD 3.25Å; Y147-P149 WeakPolarHBondContact O-CD 3.36Å; P149-G151 VanDerWaalsContact C-N 3.34Å; P149-L201 HydrophobicContact CG-CB 3.97Å; P149-L201 HydrophobicContact CG-CD1 3.99Å
150	R	96.2	Very high	96.5	Very high	118 Å²	118	49.1 Å²	49.1	45%	0.445	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.5	178.7	-60.2	-173.8	74.6	-160.1	-3.7	113.1	A148 E156 L199 G200 G203	A148-R150 VanDerWaalsContact C-N 3.3Å; A148-R150 PolarHBondContact O-N 3.43Å; R150-E156 IonicContact NH2-OE1 3.84Å; R150-L199 HydrophobicContact CB-CB 3.67Å; R150-L199 WeakPolarHBondContact CB-O 3.3Å; R150-L199 PolarHBondContact N-O 3.31Å; R150-L199 VanDerWaalsContact N-O 3.11Å; R150-G200 WeakPolarHBondContact CD-O 3.23Å; R150-G200 VanDerWaalsContact CG-O 3.27Å; R150-G200 WeakPolarHBondContact CG-O 3.14Å; R150-G203 VanDerWaalsContact NH1-CA 3.33Å
151	G	95.8	Very high	96.6	Very high	28 Å²	28	47.6 Å²	47.6	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.1	-154.3	170	0	0	0	0	0	114.2	A148 P149 L198 L199	A148-G151 PolarHBondContact O-N 2.97Å; P149-G151 VanDerWaalsContact C-N 3.34Å; G151-L198 CarbonylContact O-C 3.56Å; G151-L198 VanDerWaalsContact O-CA 3.24Å; G151-L198 WeakPolarHBondContact O-CA 3.41Å; G151-L199 PolarHBondContact O-N 3.34Å
152	E	95.3	Very high	96.7	Very high	50 Å²	50	51.6 Å²	51.6	23%	0.234	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.9	-178.2	-66.7	143.8	-131.3	0	0	112.4	Y154 K155 E156 L198	E152-Y154 VanDerWaalsContact C-N 3.27Å; E152-Y154 PolarHBondContact O-N 2.69Å; E152-K155 HydrophobicContact CB-CD 4.3Å; E152-K155 HydrophobicContact CB-CG 4.37Å; E152-K155 PolarHBondContact O-N 3.01Å; E152-K155 IonicContact OE1-NZ 3.91Å; E152-K155 PolarHBondContact OE1-NZ 3.35Å; E152-K155 VanDerWaalsContact OE2-CD 3.31Å; E152-K155 WeakPolarHBondContact OE2-CD 3.4Å; E152-K155 WeakPolarHBondContact OE2-CE 3.25Å; E152-K155 IonicContact OE2-NZ 2.7Å; E152-K155 PolarHBondContact OE2-NZ 3.14Å; E152-E156 PolarHBondContact O-N 3.3Å; E152-L198 HydrophobicContact CB-CD2 4.26Å; E152-L198 HydrophobicContact CG-CD2 3.69Å
153	M	96.9	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-37.7	173.3	177.6	-179	168.6	0	0	111.6	K155 E156 L157 F163 Y171 L197 L199 L205 L253 C257	M153-K155 VanDerWaalsContact C-N 3.32Å; M153-K155 PolarHBondContact O-N 2.83Å; M153-E156 PolarHBondContact O-N 2.92Å; M153-L157 WeakPolarHBondContact O-CB 3.44Å; M153-L157 PolarHBondContact O-N 2.71Å; M153-F163 HydrophobicContact CE-CE2 3.97Å; M153-F163 HydrophobicContact CG-CE2 4.31Å; M153-Y171 HydrophobicContact CE-CD2 3.73Å; M153-Y171 HydrophobicContact CE-CE2 4.14Å; M153-Y171 HydrophobicContact SD-CD2 4.37Å; M153-L197 HydrophobicContact CB-CB 3.97Å; M153-L197 WeakPolarHBondContact CB-O 3.44Å; M153-L197 PolarHBondContact N-O 2.93Å; M153-L197 HydrophobicContact SD-CB 3.91Å; M153-L197 HydrophobicContact SD-CD1 3.66Å; M153-L197 HydrophobicContact SD-CG 4.44Å; M153-L199 HydrophobicContact CB-CD2 4.37Å; M153-L199 HydrophobicContact CB-CG 4.34Å; M153-L205 HydrophobicContact SD-CD1 4.08Å; M153-L253 HydrophobicContact CE-CD1 3.93Å; M153-L253 HydrophobicContact CE-CD2 4.41Å; M153-L253 HydrophobicContact CE-CG 4.33Å; M153-C257 WeakPolarHBondContact CE-SG 3.38Å
154	Y	95.1	Very high	96.9	Very high	86 Å²	86	55.7 Å²	55.7	34%	0.337	28%	0.275	S	S	.	.	H	α-helix	trans	-52.7	-46.3	174.3	-176.7	-107.6	0	0	0	113	E152 E156 L157 Q158 P194 E195	E152-Y154 VanDerWaalsContact C-N 3.27Å; E152-Y154 PolarHBondContact O-N 2.69Å; Y154-E156 PolarHBondContact O-N 2.94Å; Y154-L157 PolarHBondContact O-N 3.08Å; Y154-Q158 HydrophobicContact CD1-CG 4.21Å; Y154-Q158 HydrophobicContact CD2-CG 4.37Å; Y154-Q158 HydrophobicContact CE1-CG 3.82Å; Y154-Q158 HydrophobicContact CE2-CG 4.01Å; Y154-Q158 HydrophobicContact CG-CG 4.47Å; Y154-Q158 WeakPolarHBondContact O-CB 3.47Å; Y154-Q158 VanDerWaalsContact O-CG 3.31Å; Y154-Q158 WeakPolarHBondContact O-CG 3.24Å; Y154-Q158 PolarHBondContact O-N 3.01Å; Y154-P194 HydrophobicContact CD2-CB 4.07Å; Y154-P194 HydrophobicContact CG-CB 4.45Å; Y154-P194 PolarHBondContact N-O 2.89Å; Y154-E195 HydrophobicContact CD1-CG 4.43Å; Y154-E195 HydrophobicContact CD2-CG 4.19Å; Y154-E195 HydrophobicContact CG-CG 3.98Å
155	K	95.4	Very high	96.9	Very high	115 Å²	115	57 Å²	57	50%	0.5	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-37.4	-179.5	-73.9	171.9	175	145.2	0	112.3	E152 M153 K159	E152-K155 HydrophobicContact CB-CD 4.3Å; E152-K155 HydrophobicContact CB-CG 4.37Å; E152-K155 PolarHBondContact O-N 3.01Å; E152-K155 IonicContact OE1-NZ 3.91Å; E152-K155 PolarHBondContact OE1-NZ 3.35Å; E152-K155 VanDerWaalsContact OE2-CD 3.31Å; E152-K155 WeakPolarHBondContact OE2-CD 3.4Å; E152-K155 WeakPolarHBondContact OE2-CE 3.25Å; E152-K155 IonicContact OE2-NZ 2.7Å; E152-K155 PolarHBondContact OE2-NZ 3.14Å; M153-K155 VanDerWaalsContact C-N 3.32Å; M153-K155 PolarHBondContact O-N 2.83Å; K155-K159 VanDerWaalsContact O-CB 3.27Å; K155-K159 WeakPolarHBondContact O-CB 3.27Å; K155-K159 PolarHBondContact O-N 3.16Å; K155-K159 VanDerWaalsContact O-N 3.08Å
156	E	97.3	Very high	97	Very high	31 Å²	31	60.9 Å²	60.9	15%	0.145	30%	0.3	C	S	.	.	H	α-helix	trans	-69.6	-36.3	174.6	-179.5	69.5	179.2	0	0	111.3	R150 E152 M153 Y154 K159 C160 F163 R167 L199	R150-E156 IonicContact NH2-OE1 3.84Å; E152-E156 PolarHBondContact O-N 3.3Å; M153-E156 PolarHBondContact O-N 2.92Å; Y154-E156 PolarHBondContact O-N 2.94Å; E156-K159 PolarHBondContact O-N 2.55Å; E156-C160 WeakPolarHBondContact O-CB 3.1Å; E156-C160 PolarHBondContact O-N 3.11Å; E156-C160 PolarHBondContact O-SG 3.29Å; E156-F163 HydrophobicContact CB-CZ 4.36Å; E156-F163 HydrophobicContact CG-CE1 3.99Å; E156-F163 HydrophobicContact CG-CZ 4.03Å; E156-R167 IonicContact OE1-CZ 3.35Å; E156-R167 IonicContact OE1-NH1 3.82Å; E156-R167 PolarHBondContact OE1-NH1 3.28Å; E156-R167 IonicContact OE1-NH2 1.93Å; E156-L199 HydrophobicContact CB-CD1 3.98Å; E156-L199 HydrophobicContact CG-CD1 4.07Å
157	L	97.6	Very high	97	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-52.3	175.5	-178.7	58.9	0	0	0	111.3	M153 Y154 K159 C160 G161 F163 P194 E256	M153-L157 WeakPolarHBondContact O-CB 3.44Å; M153-L157 PolarHBondContact O-N 2.71Å; Y154-L157 PolarHBondContact O-N 3.08Å; L157-K159 PolarHBondContact O-N 3.33Å; L157-C160 CarbonylContact O-C 3.58Å; L157-C160 PolarHBondContact O-N 2.81Å; L157-G161 CarbonylContact O-C 3.6Å; L157-G161 WeakPolarHBondContact O-CA 3.12Å; L157-G161 PolarHBondContact O-N 3.36Å; L157-F163 VanDerWaalsContact CA-CZ 3.46Å; L157-F163 HydrophobicContact CB-CE1 4.28Å; L157-F163 HydrophobicContact CB-CE2 4.02Å; L157-F163 HydrophobicContact CB-CZ 3.68Å; L157-F163 HydrophobicContact CD1-CD1 4.19Å; L157-F163 HydrophobicContact CD1-CD2 3.94Å; L157-F163 HydrophobicContact CD1-CE1 4.13Å; L157-F163 HydrophobicContact CD1-CE2 3.87Å; L157-F163 HydrophobicContact CD1-CG 4.1Å; L157-F163 HydrophobicContact CD1-CZ 3.98Å; L157-F163 HydrophobicContact CG-CE2 4.45Å; L157-F163 HydrophobicContact CG-CZ 4.43Å; L157-P194 HydrophobicContact CD2-CG 4.41Å; L157-E256 HydrophobicContact CD2-CG 4.04Å
158	Q	96.1	Very high	97.1	Very high	103 Å²	103	59.9 Å²	59.9	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-55.3	-40.1	175.8	-72.5	-66.7	-43.3	0	0	112.1	Y154 G161	Y154-Q158 HydrophobicContact CD1-CG 4.21Å; Y154-Q158 HydrophobicContact CD2-CG 4.37Å; Y154-Q158 HydrophobicContact CE1-CG 3.82Å; Y154-Q158 HydrophobicContact CE2-CG 4.01Å; Y154-Q158 HydrophobicContact CG-CG 4.47Å; Y154-Q158 WeakPolarHBondContact O-CB 3.47Å; Y154-Q158 VanDerWaalsContact O-CG 3.31Å; Y154-Q158 WeakPolarHBondContact O-CG 3.24Å; Y154-Q158 PolarHBondContact O-N 3.01Å; Q158-G161 PolarHBondContact O-N 3.22Å
159	K	97.2	Very high	97.2	Very high	169 Å²	169	59.4 Å²	59.4	74%	0.735	29%	0.29	S	S	*	.	H	α-helix	trans	-66.9	-35.4	175.6	-179.4	-174.9	171.1	-164.7	0	113.4	K155 E156 L157	K155-K159 VanDerWaalsContact O-CB 3.27Å; K155-K159 WeakPolarHBondContact O-CB 3.27Å; K155-K159 PolarHBondContact O-N 3.16Å; K155-K159 VanDerWaalsContact O-N 3.08Å; E156-K159 PolarHBondContact O-N 2.55Å; L157-K159 PolarHBondContact O-N 3.33Å
160	C	97.1	Very high	97.3	Very high	55 Å²	55	58 Å²	58	37%	0.372	28%	0.281	S	S	.	.	H	α-helix	trans	-86.6	-14.8	179	-61.9	0	0	0	0	113	E156 L157 R162 F163	E156-C160 WeakPolarHBondContact O-CB 3.1Å; E156-C160 PolarHBondContact O-N 3.11Å; E156-C160 PolarHBondContact O-SG 3.29Å; L157-C160 CarbonylContact O-C 3.58Å; L157-C160 PolarHBondContact O-N 2.81Å; C160-R162 WeakPolarHBondContact CB-O 3.46Å; C160-R162 PolarHBondContact O-N 3.02Å; C160-F163 HydrophobicContact CB-CD1 4.05Å; C160-F163 HydrophobicContact CB-CE1 3.99Å
161	G	97.6	Very high	97.5	Very high	45 Å²	45	52.8 Å²	52.8	46%	0.464	26%	0.261	S	S	.	.	S	Bend	trans	71.8	-49.9	-165.2	0	0	0	0	0	112.2	L157 Q158 G260	L157-G161 CarbonylContact O-C 3.6Å; L157-G161 WeakPolarHBondContact O-CA 3.12Å; L157-G161 PolarHBondContact O-N 3.36Å; Q158-G161 PolarHBondContact O-N 3.22Å; G161-G260 WeakPolarHBondContact O-CA 3.39Å
162	R	97.6	Very high	97.6	Very high	103 Å²	103	51.4 Å²	51.4	39%	0.389	25%	0.248	S	C	.	.	S	Bend	trans	-153.7	166.8	172.8	71.9	-160	-168.4	87.5	10.9	110.8	C160 L258	C160-R162 WeakPolarHBondContact CB-O 3.46Å; C160-R162 PolarHBondContact O-N 3.02Å; R162-L258 WeakPolarHBondContact CD-O 3.41Å; R162-L258 PolarHBondContact NH1-O 3.01Å
163	F	98.5	Very high	97.8	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.022	24%	0.244	C	C	.	.			trans	-100.3	162	173.2	-59.7	-32.5	0	0	0	111.7	M153 E156 L157 C160 R167 Y171 C257	M153-F163 HydrophobicContact CE-CE2 3.97Å; M153-F163 HydrophobicContact CG-CE2 4.31Å; E156-F163 HydrophobicContact CB-CZ 4.36Å; E156-F163 HydrophobicContact CG-CE1 3.99Å; E156-F163 HydrophobicContact CG-CZ 4.03Å; L157-F163 VanDerWaalsContact CA-CZ 3.46Å; L157-F163 HydrophobicContact CB-CE1 4.28Å; L157-F163 HydrophobicContact CB-CE2 4.02Å; L157-F163 HydrophobicContact CB-CZ 3.68Å; L157-F163 HydrophobicContact CD1-CD1 4.19Å; L157-F163 HydrophobicContact CD1-CD2 3.94Å; L157-F163 HydrophobicContact CD1-CE1 4.13Å; L157-F163 HydrophobicContact CD1-CE2 3.87Å; L157-F163 HydrophobicContact CD1-CG 4.1Å; L157-F163 HydrophobicContact CD1-CZ 3.98Å; L157-F163 HydrophobicContact CG-CE2 4.45Å; L157-F163 HydrophobicContact CG-CZ 4.43Å; C160-F163 HydrophobicContact CB-CD1 4.05Å; C160-F163 HydrophobicContact CB-CE1 3.99Å; F163-R167 HydrophobicContact CB-CB 4.35Å; F163-R167 HydrophobicContact CG-CG 4.46Å; F163-Y171 HydrophobicContact CD2-CD2 4.23Å; F163-Y171 AromaticContact CD2-CE2 3.96Å; F163-Y171 HydrophobicContact CD2-CE2 3.96Å; F163-Y171 HydrophobicContact CE2-CD2 4.24Å; F163-Y171 AromaticContact CE2-CE2 3.69Å; F163-Y171 HydrophobicContact CE2-CE2 3.69Å; F163-Y171 HydrophobicContact CZ-CE2 4.34Å; F163-C257 HydrophobicContact CD2-CB 4.04Å; F163-C257 PolarHBondContact N-O 3.02Å
164	D	98.4	Very high	97.9	Very high	84 Å²	84	50.8 Å²	50.8	45%	0.449	25%	0.245	S	C	.	.			trans	-85.4	171.4	173.6	59.4	14.1	0	0	0	111.6	Q166 R167 T168	D164-Q166 VanDerWaalsContact C-N 3.25Å; D164-Q166 PolarHBondContact O-N 3.44Å; D164-R167 WeakPolarHBondContact OD1-CB 3.33Å; D164-R167 PolarHBondContact OD1-N 3.46Å; D164-T168 VanDerWaalsContact O-CB 3.3Å; D164-T168 WeakPolarHBondContact O-CB 3.34Å; D164-T168 PolarHBondContact O-N 3.22Å; D164-T168 PolarHBondContact O-OG1 3.02Å
165	D	98.4	Very high	98	Very high	37 Å²	37	46.7 Å²	46.7	20%	0.198	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-37.6	177.3	-76.4	32	0	0	0	111.5	A169 S288 W317 N321	D165-A169 WeakPolarHBondContact O-CB 3.43Å; D165-A169 PolarHBondContact O-N 3Å; D165-S288 WeakPolarHBondContact OD2-CB 3.38Å; D165-S288 PolarHBondContact OD2-OG 3.46Å; D165-W317 HydrophobicContact CB-CZ2 3.81Å; D165-W317 PolarHBondContact OD2-NE1 3.1Å; D165-N321 HydrophobicContact CB-CB 4.46Å
166	Q	98.6	Very high	98.2	Very high	91 Å²	91	41.2 Å²	41.2	43%	0.425	21%	0.205	S	C	.	.	H	α-helix	trans	-63.9	-53	-179.2	-172.4	-180	-102.7	0	0	112.2	D164 T170 N321 R323	D164-Q166 VanDerWaalsContact C-N 3.25Å; D164-Q166 PolarHBondContact O-N 3.44Å; Q166-T170 WeakPolarHBondContact O-CB 3.15Å; Q166-T170 PolarHBondContact O-N 3.32Å; Q166-T170 VanDerWaalsContact O-N 3.08Å; Q166-T170 PolarHBondContact O-OG1 2.86Å; Q166-N321 WeakPolarHBondContact CA-O 3.1Å; Q166-N321 WeakPolarHBondContact CG-O 3.49Å; Q166-R323 HydrophobicContact CG-CB 4.49Å; Q166-R323 HydrophobicContact CG-CG 3.63Å
167	R	98.5	Very high	98.2	Very high	77 Å²	77	41.7 Å²	41.7	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-67.1	-42.6	-179.9	-169.1	-169.7	-60	-153.7	-0.4	110.6	E156 F163 D164 T170 Y171	E156-R167 IonicContact OE1-CZ 3.35Å; E156-R167 IonicContact OE1-NH1 3.82Å; E156-R167 PolarHBondContact OE1-NH1 3.28Å; E156-R167 IonicContact OE1-NH2 1.93Å; F163-R167 HydrophobicContact CB-CB 4.35Å; F163-R167 HydrophobicContact CG-CG 4.46Å; D164-R167 WeakPolarHBondContact OD1-CB 3.33Å; D164-R167 PolarHBondContact OD1-N 3.46Å; R167-T170 PolarHBondContact O-N 2.85Å; R167-Y171 HydrophobicContact CG-CD2 4.21Å; R167-Y171 HydrophobicContact CG-CE2 3.64Å; R167-Y171 PolarHBondContact O-N 2.79Å
168	T	98.8	Very high	98.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-48.8	179	-52.3	0	0	0	0	111.6	D164 T170 Y171 M172 C257 L258 W317	D164-T168 VanDerWaalsContact O-CB 3.3Å; D164-T168 WeakPolarHBondContact O-CB 3.34Å; D164-T168 PolarHBondContact O-N 3.22Å; D164-T168 PolarHBondContact O-OG1 3.02Å; T168-T170 VanDerWaalsContact C-N 3.27Å; T168-T170 PolarHBondContact O-N 2.91Å; T168-Y171 PolarHBondContact O-N 3Å; T168-Y171 VanDerWaalsContact O-N 3.16Å; T168-M172 HydrophobicContact CG2-CE 4.4Å; T168-M172 HydrophobicContact CG2-CG 4.31Å; T168-M172 WeakPolarHBondContact O-CG 3.4Å; T168-M172 PolarHBondContact O-N 3Å; T168-C257 HydrophobicContact CG2-CB 3.51Å; T168-L258 HydrophobicContact CG2-CD1 4.39Å; T168-L258 HydrophobicContact CG2-CD2 4.12Å; T168-L258 HydrophobicContact CG2-CG 3.97Å; T168-L258 WeakPolarHBondContact OG1-CD2 3.42Å; T168-W317 HydrophobicContact CG2-CH2 3.95Å
169	A	98.9	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-38.7	177.2	0	0	0	0	0	112.4	D165 M172 E173 W317 N321	D165-A169 WeakPolarHBondContact O-CB 3.43Å; D165-A169 PolarHBondContact O-N 3Å; A169-M172 PolarHBondContact O-N 3.45Å; A169-E173 PolarHBondContact O-N 3.17Å; A169-W317 HydrophobicContact CB-CE3 4.19Å; A169-W317 HydrophobicContact CB-CH2 4.02Å; A169-W317 HydrophobicContact CB-CZ2 4.48Å; A169-W317 HydrophobicContact CB-CZ3 3.85Å; A169-N321 HydrophobicContact CB-CB 3.51Å
170	T	98.8	Very high	98.4	Very high	20 Å²	20	30.7 Å²	30.7	12%	0.123	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-48.3	174.9	-56.3	0	0	0	0	111.1	Q166 R167 T168 M172 E173 E174 R323 R324	Q166-T170 WeakPolarHBondContact O-CB 3.15Å; Q166-T170 PolarHBondContact O-N 3.32Å; Q166-T170 VanDerWaalsContact O-N 3.08Å; Q166-T170 PolarHBondContact O-OG1 2.86Å; R167-T170 PolarHBondContact O-N 2.85Å; T168-T170 VanDerWaalsContact C-N 3.27Å; T168-T170 PolarHBondContact O-N 2.91Å; T170-M172 VanDerWaalsContact C-N 3.35Å; T170-M172 PolarHBondContact O-N 2.78Å; T170-E173 PolarHBondContact O-N 3.09Å; T170-E174 WeakPolarHBondContact O-CG 3.24Å; T170-E174 PolarHBondContact O-N 2.85Å; T170-R323 PolarHBondContact OG1-N 3.42Å; T170-R324 HydrophobicContact CG2-CB 4.16Å
171	Y	98.8	Very high	98.5	Very high	8 Å²	8	29.6 Å²	29.6	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-36.8	175.5	-67.8	-23	0	0	0	113.1	M153 F163 R167 T168 E174 L175 L199 G203 L205	M153-Y171 HydrophobicContact CE-CD2 3.73Å; M153-Y171 HydrophobicContact CE-CE2 4.14Å; M153-Y171 HydrophobicContact SD-CD2 4.37Å; F163-Y171 HydrophobicContact CD2-CD2 4.23Å; F163-Y171 AromaticContact CD2-CE2 3.96Å; F163-Y171 HydrophobicContact CD2-CE2 3.96Å; F163-Y171 HydrophobicContact CE2-CD2 4.24Å; F163-Y171 AromaticContact CE2-CE2 3.69Å; F163-Y171 HydrophobicContact CE2-CE2 3.69Å; F163-Y171 HydrophobicContact CZ-CE2 4.34Å; R167-Y171 HydrophobicContact CG-CD2 4.21Å; R167-Y171 HydrophobicContact CG-CE2 3.64Å; R167-Y171 PolarHBondContact O-N 2.79Å; T168-Y171 PolarHBondContact O-N 3Å; T168-Y171 VanDerWaalsContact O-N 3.16Å; Y171-E174 PolarHBondContact O-N 3.5Å; Y171-L175 WeakPolarHBondContact O-CB 3.48Å; Y171-L175 PolarHBondContact O-N 3.42Å; Y171-L199 HydrophobicContact CE1-CD2 3.87Å; Y171-L199 WeakPolarHBondContact OH-CD2 3.35Å; Y171-G203 WeakPolarHBondContact CE1-O 3.45Å; Y171-L205 HydrophobicContact CD1-CB 3.9Å; Y171-L205 HydrophobicContact CD1-CD1 3.99Å; Y171-L205 HydrophobicContact CE1-CB 4.34Å; Y171-L205 HydrophobicContact CG-CD1 3.91Å
172	M	98.8	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-37.9	176.2	-67.3	-50.6	102.8	0	0	112.1	T168 A169 T170 A176 I250 L253 C254 V312 V318	T168-M172 HydrophobicContact CG2-CE 4.4Å; T168-M172 HydrophobicContact CG2-CG 4.31Å; T168-M172 WeakPolarHBondContact O-CG 3.4Å; T168-M172 PolarHBondContact O-N 3Å; A169-M172 PolarHBondContact O-N 3.45Å; T170-M172 VanDerWaalsContact C-N 3.35Å; T170-M172 PolarHBondContact O-N 2.78Å; M172-A176 WeakPolarHBondContact O-CB 3.31Å; M172-A176 PolarHBondContact O-N 3.1Å; M172-I250 HydrophobicContact SD-CG2 3.62Å; M172-L253 HydrophobicContact CE-CD2 4.04Å; M172-L253 HydrophobicContact CE-CG 4.14Å; M172-C254 HydrophobicContact CE-CB 4.33Å; M172-C254 HydrophobicContact CG-CB 4.19Å; M172-C254 HydrophobicContact SD-CB 3.53Å; M172-C254 VanDerWaalsContact SD-CB 3.53Å; M172-V312 HydrophobicContact CB-CG1 4.43Å; M172-V318 HydrophobicContact CB-CG2 4.43Å
173	E	98.8	Very high	98.4	Very high	33 Å²	33	24.1 Å²	24.1	15%	0.154	11%	0.114	C	C	.	.	H	α-helix	trans	-66.5	-48.9	174.2	-164.9	-167.2	149	0	0	111.8	A169 T170 L175 A176 D177 I313 V318 S322 R324	A169-E173 PolarHBondContact O-N 3.17Å; T170-E173 PolarHBondContact O-N 3.09Å; E173-L175 PolarHBondContact O-N 3.01Å; E173-A176 PolarHBondContact O-N 3.02Å; E173-D177 WeakPolarHBondContact O-CB 3.42Å; E173-D177 PolarHBondContact O-N 3.22Å; E173-D177 VanDerWaalsContact O-N 3.1Å; E173-I313 HydrophobicContact CG-CG1 4.49Å; E173-I313 HydrophobicContact CG-CG2 4.18Å; E173-V318 HydrophobicContact CB-CG1 3.93Å; E173-V318 HydrophobicContact CG-CG1 4.39Å; E173-S322 VanDerWaalsContact OE2-CB 3.23Å; E173-S322 WeakPolarHBondContact OE2-CB 3.29Å; E173-S322 PolarHBondContact OE2-OG 3.13Å; E173-R324 VanDerWaalsContact CD-CD 3.46Å; E173-R324 VanDerWaalsContact OE1-CD 3.26Å; E173-R324 WeakPolarHBondContact OE1-CD 3.44Å; E173-R324 IonicContact OE1-NH1 3.56Å
174	E	98.8	Very high	98.3	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-44.2	179.4	-74.6	-170.8	130.2	0	0	112.8	H125 N127 T170 Y171 A178 E204 L205 R324	H125-E174 PolarHBondContact CE1-O 3.19Å; N127-E174 HydrophobicContact CB-CB 4.27Å; N127-E174 WeakPolarHBondContact ND2-CG 3.45Å; N127-E174 PolarHBondContact ND2-OE1 2.94Å; T170-E174 WeakPolarHBondContact O-CG 3.24Å; T170-E174 PolarHBondContact O-N 2.85Å; Y171-E174 PolarHBondContact O-N 3.5Å; E174-A178 WeakPolarHBondContact O-CB 3.49Å; E174-A178 PolarHBondContact O-N 2.87Å; E174-A178 VanDerWaalsContact O-N 3.13Å; E174-E204 WeakPolarHBondContact OE1-CA 3.47Å; E174-E204 VanDerWaalsContact OE1-CB 3.3Å; E174-E204 WeakPolarHBondContact OE1-CB 3.29Å; E174-L205 HydrophobicContact CB-CB 4.12Å; E174-L205 VanDerWaalsContact OE2-CB 3.27Å; E174-L205 WeakPolarHBondContact OE2-CB 3.42Å; E174-L205 PolarHBondContact OE2-N 3.34Å; E174-R324 HydrophobicContact CG-CG 3.73Å
175	L	98.6	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.6	-42	-180	178	59.1	0	0	0	112.1	Y171 E173 D177 A178 L179 I192 L197 L205 I207 I250 L253	Y171-L175 WeakPolarHBondContact O-CB 3.48Å; Y171-L175 PolarHBondContact O-N 3.42Å; E173-L175 PolarHBondContact O-N 3.01Å; L175-D177 PolarHBondContact O-N 3.24Å; L175-A178 PolarHBondContact O-N 3.26Å; L175-L179 HydrophobicContact CD1-CD1 3.68Å; L175-L179 HydrophobicContact CD1-CG 4.1Å; L175-L179 HydrophobicContact CG-CD1 3.88Å; L175-L179 WeakPolarHBondContact O-CB 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 2.96Å; L175-I192 HydrophobicContact CD1-CD1 3.98Å; L175-I192 HydrophobicContact CD1-CG2 4.36Å; L175-I192 HydrophobicContact CD2-CG2 3.97Å; L175-L197 HydrophobicContact CD1-CD2 4.46Å; L175-L205 HydrophobicContact CB-CD1 4.41Å; L175-L205 HydrophobicContact CB-CD2 4.17Å; L175-L205 HydrophobicContact CD1-CD2 4.32Å; L175-I207 HydrophobicContact CD1-CD1 3.82Å; L175-I207 HydrophobicContact CD1-CG1 4.02Å; L175-I250 HydrophobicContact CD2-CG1 3.95Å; L175-I250 HydrophobicContact CG-CG1 4.17Å; L175-L253 HydrophobicContact CD2-CD2 3.4Å; L175-L253 VanDerWaalsContact CD2-CD2 3.4Å
176	A	98.7	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-39.9	179.4	0	0	0	0	0	112	M172 E173 L179 Q180 L309 V312 I313	M172-A176 WeakPolarHBondContact O-CB 3.31Å; M172-A176 PolarHBondContact O-N 3.1Å; E173-A176 PolarHBondContact O-N 3.02Å; A176-L179 PolarHBondContact O-N 2.85Å; A176-Q180 VanDerWaalsContact O-CB 3.31Å; A176-Q180 WeakPolarHBondContact O-CB 3.45Å; A176-Q180 PolarHBondContact O-N 3.45Å; A176-L309 HydrophobicContact CB-CD2 4.23Å; A176-V312 HydrophobicContact CB-CB 4.05Å; A176-V312 HydrophobicContact CB-CG1 3.93Å; A176-I313 HydrophobicContact CB-CD1 4.26Å; A176-I313 HydrophobicContact CB-CG1 3.75Å
177	D	98.7	Very high	97.6	Very high	40 Å²	40	30 Å²	30	21%	0.214	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-45.9	174.8	-177	4.6	0	0	0	111.6	H125 E173 L175 L179 Q180 Y181 I313 R324	H125-D177 IonicContact CD2-OD1 2.92Å; H125-D177 IonicContact CE1-OD1 2.61Å; H125-D177 IonicContact CE1-OD2 3.64Å; H125-D177 PolarHBondContact CE1-OD2 2.84Å; H125-D177 VanDerWaalsContact NE2-CB 3.34Å; H125-D177 WeakPolarHBondContact NE2-CB 3.31Å; H125-D177 PolarHBondContact NE2-O 3.29Å; H125-D177 IonicContact NE2-OD1 3.33Å; H125-D177 PolarHBondContact NE2-OD1 3.2Å; H125-D177 IonicContact NE2-OD2 2.73Å; H125-D177 PolarHBondContact NE2-OD2 2.65Å; E173-D177 WeakPolarHBondContact O-CB 3.42Å; E173-D177 PolarHBondContact O-N 3.22Å; E173-D177 VanDerWaalsContact O-N 3.1Å; L175-D177 PolarHBondContact O-N 3.24Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 PolarHBondContact O-N 2.91Å; D177-Q180 PolarHBondContact O-N 3.5Å; D177-Q180 VanDerWaalsContact O-N 3.15Å; D177-Y181 PolarHBondContact O-N 2.94Å; D177-I313 HydrophobicContact CB-CD1 4.03Å; D177-R324 IonicContact OD2-CZ 2.71Å; D177-R324 IonicContact OD2-NH1 2.83Å; D177-R324 PolarHBondContact OD2-NH1 2.89Å; D177-R324 IonicContact OD2-NH2 3.71Å; D177-R324 PolarHBondContact OD2-NH2 2.68Å
178	A	98.5	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-40.5	175.8	0	0	0	0	0	113	H125 N127 I128 E174 L175 C182 I207	H125-A178 PolarHBondContact CE1-N 2.85Å; N127-A178 HydrophobicContact CB-CB 4.03Å; I128-A178 HydrophobicContact CG1-CB 3.98Å; E174-A178 WeakPolarHBondContact O-CB 3.49Å; E174-A178 PolarHBondContact O-N 2.87Å; E174-A178 VanDerWaalsContact O-N 3.13Å; L175-A178 PolarHBondContact O-N 3.26Å; A178-C182 PolarHBondContact O-N 3.28Å; A178-C182 VanDerWaalsContact O-N 3.17Å; A178-C182 PolarHBondContact O-SG 3.35Å; A178-C182 VanDerWaalsContact O-SG 3.4Å; A178-I207 HydrophobicContact CB-CD1 3.62Å; A178-I207 HydrophobicContact CB-CG1 4.33Å
179	L	98.3	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.5	-32.4	176.2	-73	166.9	0	0	0	112.2	L175 A176 D177 C182 H183 H189 I192 I207 D246 I250 L309	L175-L179 HydrophobicContact CD1-CD1 3.68Å; L175-L179 HydrophobicContact CD1-CG 4.1Å; L175-L179 HydrophobicContact CG-CD1 3.88Å; L175-L179 WeakPolarHBondContact O-CB 3.23Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 2.96Å; A176-L179 PolarHBondContact O-N 2.85Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-L179 PolarHBondContact O-N 2.91Å; L179-C182 WeakPolarHBondContact O-CB 3.4Å; L179-C182 PolarHBondContact O-N 2.94Å; L179-C182 VanDerWaalsContact O-N 3.17Å; L179-H183 WeakPolarHBondContact O-CB 3.25Å; L179-H183 PolarHBondContact O-CD2 3.34Å; L179-H183 VanDerWaalsContact O-CG 3.27Å; L179-H183 PolarHBondContact O-N 2.81Å; L179-H189 HydrophobicContact CD2-CB 3.84Å; L179-I192 HydrophobicContact CD1-CD1 4.47Å; L179-I192 HydrophobicContact CD1-CG1 4.25Å; L179-I192 HydrophobicContact CD2-CD1 4.22Å; L179-I192 HydrophobicContact CD2-CG1 4.28Å; L179-I207 HydrophobicContact CD2-CD1 4.27Å; L179-I207 HydrophobicContact CG-CD1 4.21Å; L179-D246 HydrophobicContact CD1-CB 4.24Å; L179-D246 HydrophobicContact CD2-CB 4.19Å; L179-I250 HydrophobicContact CD1-CD1 3.6Å; L179-I250 HydrophobicContact CD1-CG1 3.78Å; L179-L309 HydrophobicContact CB-CD1 3.83Å; L179-L309 HydrophobicContact CB-CD2 4.09Å
180	Q	98.2	Very high	96.8	Very high	42 Å²	42	27.9 Å²	27.9	20%	0.196	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-46.2	176.1	-179.3	169.6	-7.7	0	0	109.9	A176 D177 C182 H183 E184 L309	A176-Q180 VanDerWaalsContact O-CB 3.31Å; A176-Q180 WeakPolarHBondContact O-CB 3.45Å; A176-Q180 PolarHBondContact O-N 3.45Å; D177-Q180 PolarHBondContact O-N 3.5Å; D177-Q180 VanDerWaalsContact O-N 3.15Å; Q180-C182 VanDerWaalsContact C-N 3.28Å; Q180-C182 PolarHBondContact O-N 2.89Å; Q180-H183 PolarHBondContact O-N 3.06Å; Q180-E184 WeakPolarHBondContact O-CG 3.5Å; Q180-E184 PolarHBondContact O-N 2.91Å; Q180-L309 HydrophobicContact CB-CB 4.24Å; Q180-L309 HydrophobicContact CB-CD1 4.01Å
181	Y	98.2	Very high	96.4	Very high	33 Å²	33	27.2 Å²	27.2	13%	0.129	12%	0.121	C	C	.	.	H	α-helix	trans	-55.2	-39.8	171.4	175.6	-84.4	0	0	0	113.1	L123 R124 H125 I128 D177 R185	L123-Y181 HydrophobicContact CB-CE1 4.14Å; L123-Y181 HydrophobicContact CD2-CD1 4.29Å; L123-Y181 HydrophobicContact CD2-CE1 3.69Å; R124-Y181 PolarHBondContact N-OH 3.2Å; R124-Y181 WeakPolarHBondContact O-CE2 3.49Å; R124-Y181 PolarHBondContact O-OH 3.16Å; H125-Y181 HydrophobicContact CB-CD1 3.97Å; H125-Y181 HydrophobicContact CB-CD2 4.28Å; H125-Y181 HydrophobicContact CB-CE1 4.25Å; H125-Y181 HydrophobicContact CB-CG 4.01Å; H125-Y181 AromaticContact CD2-CD2 3.88Å; H125-Y181 AromaticContact CD2-CG 3.75Å; I128-Y181 HydrophobicContact CD1-CD1 3.83Å; I128-Y181 HydrophobicContact CD1-CE1 4.27Å; D177-Y181 PolarHBondContact O-N 2.94Å; Y181-R185 VanDerWaalsContact CZ-CZ 3.49Å; Y181-R185 VanDerWaalsContact CZ-NE 3.26Å; Y181-R185 WeakPolarHBondContact O-CD 3.48Å; Y181-R185 PolarHBondContact O-NH1 2.79Å; Y181-R185 PolarHBondContact OH-NE 2.89Å
182	C	97	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.3	-46.4	174.8	-74.6	0	0	0	0	112.5	I128 A178 L179 Q180 E184 R185 K186 V187	I128-C182 VanDerWaalsContact CD1-SG 3.59Å; A178-C182 PolarHBondContact O-N 3.28Å; A178-C182 VanDerWaalsContact O-N 3.17Å; A178-C182 PolarHBondContact O-SG 3.35Å; A178-C182 VanDerWaalsContact O-SG 3.4Å; L179-C182 WeakPolarHBondContact O-CB 3.4Å; L179-C182 PolarHBondContact O-N 2.94Å; L179-C182 VanDerWaalsContact O-N 3.17Å; Q180-C182 VanDerWaalsContact C-N 3.28Å; Q180-C182 PolarHBondContact O-N 2.89Å; C182-E184 PolarHBondContact O-N 3.35Å; C182-R185 CarbonylContact O-C 3.6Å; C182-R185 VanDerWaalsContact O-C 3.32Å; C182-R185 WeakPolarHBondContact O-CA 3.5Å; C182-R185 PolarHBondContact O-N 3.38Å; C182-K186 PolarHBondContact O-N 2.8Å; C182-V187 CarbonylContact C-O 3.56Å; C182-V187 HydrophobicContact CB-CB 4.1Å; C182-V187 HydrophobicContact CB-CG1 4.35Å; C182-V187 PolarHBondContact O-N 3.25Å
183	H	95.9	Very high	96	Very high	32 Å²	32	27.9 Å²	27.9	15%	0.148	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-36.4	-176.1	-71.6	-165.2	0	0	0	112.1	L179 Q180 R185 K186 V187 E243 D246	L179-H183 WeakPolarHBondContact O-CB 3.25Å; L179-H183 PolarHBondContact O-CD2 3.34Å; L179-H183 VanDerWaalsContact O-CG 3.27Å; L179-H183 PolarHBondContact O-N 2.81Å; Q180-H183 PolarHBondContact O-N 3.06Å; H183-R185 PolarHBondContact O-N 2.85Å; H183-K186 PolarHBondContact O-N 3.28Å; H183-V187 PolarHBondContact CD2-O 3.19Å; H183-E243 PolarHBondContact CE1-O 3.1Å; H183-E243 VanDerWaalsContact CE1-O 3.26Å; H183-D246 IonicContact CD2-OD2 2.75Å; H183-D246 IonicContact CE1-OD2 3.15Å; H183-D246 IonicContact NE2-OD2 3.59Å; H183-D246 PolarHBondContact NE2-OD2 3.29Å
184	E	96.1	Very high	95.9	Very high	120 Å²	120	26.3 Å²	26.3	56%	0.561	12%	0.117	S	C	*	.	H	α-helix	trans	-54.2	-39.5	168.4	-75.3	171	-178	0	0	112.2	Q180 C182 K186	Q180-E184 WeakPolarHBondContact O-CG 3.5Å; Q180-E184 PolarHBondContact O-N 2.91Å; C182-E184 PolarHBondContact O-N 3.35Å; E184-K186 VanDerWaalsContact C-N 3.26Å; E184-K186 PolarHBondContact O-N 2.98Å
185	R	94.6	Very high	95.6	Very high	101 Å²	101	29.7 Å²	29.7	38%	0.381	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	14.3	178.4	-71.4	158.2	-170.8	68.6	9.5	113	Y181 C182 H183 V187 H215	Y181-R185 VanDerWaalsContact CZ-CZ 3.49Å; Y181-R185 VanDerWaalsContact CZ-NE 3.26Å; Y181-R185 WeakPolarHBondContact O-CD 3.48Å; Y181-R185 PolarHBondContact O-NH1 2.79Å; Y181-R185 PolarHBondContact OH-NE 2.89Å; C182-R185 CarbonylContact O-C 3.6Å; C182-R185 VanDerWaalsContact O-C 3.32Å; C182-R185 WeakPolarHBondContact O-CA 3.5Å; C182-R185 PolarHBondContact O-N 3.38Å; H183-R185 PolarHBondContact O-N 2.85Å; R185-V187 HydrophobicContact CB-CG2 4.43Å; R185-V187 PolarHBondContact O-N 2.71Å; R185-V187 VanDerWaalsContact O-N 3.15Å; R185-H215 PolarHBondContact O-CE1 3.35Å; R185-H215 PolarHBondContact O-ND1 2.79Å
186	K	93.3	Very high	95.4	Very high	115 Å²	115	30.4 Å²	30.4	50%	0.5	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	27.5	-178.3	-50.3	-56.4	178.1	-171.4	0	113.6	C182 H183 E184 H215 A216	C182-K186 PolarHBondContact O-N 2.8Å; H183-K186 PolarHBondContact O-N 3.28Å; E184-K186 VanDerWaalsContact C-N 3.26Å; E184-K186 PolarHBondContact O-N 2.98Å; K186-H215 CarbonylContact O-C 3.35Å; K186-H215 WeakPolarHBondContact O-CA 3.39Å; K186-A216 PolarHBondContact O-N 2.81Å
187	V	93.7	Very high	95.3	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.8	172.7	177.4	0	0	0	0	108.5	I119 C182 H183 R185 V214	I119-V187 HydrophobicContact CG2-CG1 3.74Å; I119-V187 HydrophobicContact CG2-CG2 4.02Å; C182-V187 CarbonylContact C-O 3.56Å; C182-V187 HydrophobicContact CB-CB 4.1Å; C182-V187 HydrophobicContact CB-CG1 4.35Å; C182-V187 PolarHBondContact O-N 3.25Å; H183-V187 PolarHBondContact CD2-O 3.19Å; R185-V187 HydrophobicContact CB-CG2 4.43Å; R185-V187 PolarHBondContact O-N 2.71Å; R185-V187 VanDerWaalsContact O-N 3.15Å; V187-V214 WeakPolarHBondContact CA-O 3.35Å
188	I	93.4	Very high	95.3	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.056	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.9	171.2	-47	171.3	0	0	0	107.6	R190 S213 V214 A216 E243 V245 D246	I188-R190 HydrophobicContact CB-CG 4.1Å; I188-R190 HydrophobicContact CG2-CG 3.52Å; I188-S213 WeakPolarHBondContact O-CA 3.18Å; I188-S213 WeakPolarHBondContact O-CB 3.43Å; I188-V214 HydrophobicContact CB-CG2 4.29Å; I188-V214 PolarHBondContact N-O 3.32Å; I188-V214 PolarHBondContact O-N 2.92Å; I188-V214 VanDerWaalsContact O-N 3.12Å; I188-A216 HydrophobicContact CD1-CB 3.65Å; I188-A216 HydrophobicContact CG1-CB 4.16Å; I188-E243 HydrophobicContact CD1-CB 4.2Å; I188-E243 HydrophobicContact CG1-CB 3.92Å; I188-E243 HydrophobicContact CG2-CB 4.45Å; I188-V245 HydrophobicContact CG2-CG2 3.82Å; I188-D246 WeakPolarHBondContact CG2-OD2 3.36Å
189	H	94.1	Very high	95.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.136	C	C	.	.			trans	-79.3	-51.3	-173.4	-170	-86.8	0	0	0	113	L179 D191 I192 I207 D209 F210 W212 S213 D246	L179-H189 HydrophobicContact CD2-CB 3.84Å; H189-D191 PolarHBondContact CE1-O 3.13Å; H189-D191 VanDerWaalsContact CE1-O 3.25Å; H189-D191 VanDerWaalsContact ND1-C 3.35Å; H189-D191 PolarHBondContact ND1-N 3.25Å; H189-D191 PolarHBondContact ND1-O 3.39Å; H189-D191 PolarHBondContact O-N 3.22Å; H189-D191 VanDerWaalsContact O-N 3.16Å; H189-I192 HydrophobicContact CB-CD1 4.13Å; H189-I192 HydrophobicContact CB-CG1 4.05Å; H189-I192 VanDerWaalsContact ND1-CD1 3.26Å; H189-I192 WeakPolarHBondContact ND1-CD1 3.37Å; H189-I192 WeakPolarHBondContact ND1-CG1 3.43Å; H189-I192 PolarHBondContact ND1-N 2.86Å; H189-I207 VanDerWaalsContact CD2-CG2 3.48Å; H189-I207 WeakPolarHBondContact CD2-CG2 3.39Å; H189-I207 WeakPolarHBondContact NE2-CG2 3.2Å; H189-D209 PolarHBondContact CE1-O 2.86Å; H189-D209 VanDerWaalsContact CE1-O 3.29Å; H189-D209 PolarHBondContact NE2-O 3.4Å; H189-F210 AromaticContact CD2-CE1 3.82Å; H189-W212 CarbonylContact O-C 3.56Å; H189-S213 WeakPolarHBondContact CA-OG 3.44Å; H189-S213 PolarHBondContact O-N 2.94Å; H189-S213 PolarHBondContact O-OG 2.79Å; H189-D246 PolarHBondContact N-OD1 3.04Å; H189-D246 PolarHBondContact N-OD2 2.87Å
190	R	90.9	Very high	95.2	Very high	19 Å²	19	30.5 Å²	30.5	7%	0.072	14%	0.137	C	C	.	.			trans	67.8	-7.2	174.9	-47.8	-169.4	-60.5	147.2	8.9	118.2	I188 W212 C225 H241 V245 D246	I188-R190 HydrophobicContact CB-CG 4.1Å; I188-R190 HydrophobicContact CG2-CG 3.52Å; R190-W212 VanDerWaalsContact CZ-O 3.32Å; R190-W212 PolarHBondContact NE-O 3.17Å; R190-W212 PolarHBondContact NH2-O 2.91Å; R190-C225 PolarHBondContact NH1-SG 2.82Å; R190-C225 VanDerWaalsContact NH1-SG 3.43Å; R190-H241 PolarHBondContact NH1-NE2 3.25Å; R190-V245 HydrophobicContact CG-CG2 4.01Å; R190-D246 PolarHBondContact N-OD1 3.4Å
191	D	90.8	Very high	95	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.032	16%	0.161	C	C	.	.			trans	-136.2	52.6	174.5	-164.1	29.3	0	0	0	111.5	H189 K193 N196 W212	H189-D191 PolarHBondContact CE1-O 3.13Å; H189-D191 VanDerWaalsContact CE1-O 3.25Å; H189-D191 VanDerWaalsContact ND1-C 3.35Å; H189-D191 PolarHBondContact ND1-N 3.25Å; H189-D191 PolarHBondContact ND1-O 3.39Å; H189-D191 PolarHBondContact O-N 3.22Å; H189-D191 VanDerWaalsContact O-N 3.16Å; D191-K193 IonicContact OD1-NZ 3.71Å; D191-K193 PolarHBondContact OD1-NZ 3.18Å; D191-K193 IonicContact OD2-NZ 2.65Å; D191-K193 PolarHBondContact OD2-NZ 2.85Å; D191-N196 PolarHBondContact O-ND2 3.46Å; D191-N196 PolarHBondContact OD2-ND2 3.16Å; D191-W212 HydrophobicContact CB-CB 3.95Å; D191-W212 HydrophobicContact CB-CG 4.09Å; D191-W212 VanDerWaalsContact OD2-CD1 3.27Å
192	I	96.1	Very high	94.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.176	C	C	.	.			trans	-78.9	120	173.6	-69	-63.2	0	0	0	109.1	L175 L179 H189 I207 Y230 L253	L175-I192 HydrophobicContact CD1-CD1 3.98Å; L175-I192 HydrophobicContact CD1-CG2 4.36Å; L175-I192 HydrophobicContact CD2-CG2 3.97Å; L179-I192 HydrophobicContact CD1-CD1 4.47Å; L179-I192 HydrophobicContact CD1-CG1 4.25Å; L179-I192 HydrophobicContact CD2-CD1 4.22Å; L179-I192 HydrophobicContact CD2-CG1 4.28Å; H189-I192 HydrophobicContact CB-CD1 4.13Å; H189-I192 HydrophobicContact CB-CG1 4.05Å; H189-I192 VanDerWaalsContact ND1-CD1 3.26Å; H189-I192 WeakPolarHBondContact ND1-CD1 3.37Å; H189-I192 WeakPolarHBondContact ND1-CG1 3.43Å; H189-I192 PolarHBondContact ND1-N 2.86Å; I192-I207 HydrophobicContact CD1-CD1 4.23Å; I192-I207 HydrophobicContact CD1-CG1 4.47Å; I192-I207 HydrophobicContact CD1-CG2 4.23Å; I192-Y230 WeakPolarHBondContact O-CD1 3.33Å; I192-Y230 WeakPolarHBondContact O-CE1 3.41Å; I192-L253 HydrophobicContact CG2-CD2 4.26Å
193	K	94.1	Very high	94.7	Very high	22 Å²	22	39.4 Å²	39.4	10%	0.096	18%	0.181	C	C	.	.	S	Bend	trans	-166.9	161.6	-179.5	61.8	-177	-176.3	-136	0	110.5	D191 E195 N196 L197 T227 Y230	D191-K193 IonicContact OD1-NZ 3.71Å; D191-K193 PolarHBondContact OD1-NZ 3.18Å; D191-K193 IonicContact OD2-NZ 2.65Å; D191-K193 PolarHBondContact OD2-NZ 2.85Å; K193-E195 WeakPolarHBondContact CB-OE2 3.4Å; K193-E195 WeakPolarHBondContact CD-OE2 3.31Å; K193-E195 WeakPolarHBondContact CG-OE2 3.35Å; K193-E195 PolarHBondContact O-N 3.08Å; K193-E195 VanDerWaalsContact O-N 3.11Å; K193-N196 WeakPolarHBondContact CE-ND2 3.09Å; K193-N196 HydrophobicContact CG-CB 4.18Å; K193-N196 PolarHBondContact O-N 2.81Å; K193-N196 VanDerWaalsContact O-N 3.08Å; K193-L197 WeakPolarHBondContact O-CG 3.48Å; K193-T227 WeakPolarHBondContact CD-OG1 3.4Å; K193-T227 WeakPolarHBondContact CE-OG1 3.3Å; K193-T227 PolarHBondContact NZ-OG1 3.05Å; K193-Y230 HydrophobicContact CB-CD1 4.25Å; K193-Y230 HydrophobicContact CB-CD2 4.24Å; K193-Y230 HydrophobicContact CB-CE1 4.15Å; K193-Y230 HydrophobicContact CB-CE2 4.15Å; K193-Y230 HydrophobicContact CB-CG 4.3Å
194	P	95.4	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.2	-25.7	-172.7	-22.9	32.3	0	0	0	115.5	Y154 L157 Y230 L253 E256	Y154-P194 HydrophobicContact CD2-CB 4.07Å; Y154-P194 HydrophobicContact CG-CB 4.45Å; Y154-P194 PolarHBondContact N-O 2.89Å; L157-P194 HydrophobicContact CD2-CG 4.41Å; P194-Y230 WeakPolarHBondContact CD-OH 3.07Å; P194-L253 HydrophobicContact CB-CD1 4.48Å; P194-L253 HydrophobicContact CG-CD1 3.6Å; P194-E256 WeakPolarHBondContact CG-OE1 3.35Å
195	E	92.4	Very high	94.8	Very high	75 Å²	75	33 Å²	33	35%	0.35	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-75.2	-28.8	179.5	-50.6	96.6	120.5	0	0	112.4	Y154 K193 L197	Y154-E195 HydrophobicContact CD1-CG 4.43Å; Y154-E195 HydrophobicContact CD2-CG 4.19Å; Y154-E195 HydrophobicContact CG-CG 3.98Å; K193-E195 WeakPolarHBondContact CB-OE2 3.4Å; K193-E195 WeakPolarHBondContact CD-OE2 3.31Å; K193-E195 WeakPolarHBondContact CG-OE2 3.35Å; K193-E195 PolarHBondContact O-N 3.08Å; K193-E195 VanDerWaalsContact O-N 3.11Å; E195-L197 VanDerWaalsContact C-N 3.29Å
196	N	94.8	Very high	95	Very high	15 Å²	15	28.5 Å²	28.5	8%	0.08	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-90.7	5.2	179.1	-68.8	-5.1	0	0	0	112.5	D191 K193 A208 D209	D191-N196 PolarHBondContact O-ND2 3.46Å; D191-N196 PolarHBondContact OD2-ND2 3.16Å; K193-N196 WeakPolarHBondContact CE-ND2 3.09Å; K193-N196 HydrophobicContact CG-CB 4.18Å; K193-N196 PolarHBondContact O-N 2.81Å; K193-N196 VanDerWaalsContact O-N 3.08Å; N196-A208 PolarHBondContact O-N 2.81Å; N196-D209 HydrophobicContact CB-CB 4.15Å
197	L	97.8	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.9	-178.8	-62.3	174.8	0	0	0	109.2	M153 L175 K193 E195 L205 K206 I207 L253	M153-L197 HydrophobicContact CB-CB 3.97Å; M153-L197 WeakPolarHBondContact CB-O 3.44Å; M153-L197 PolarHBondContact N-O 2.93Å; M153-L197 HydrophobicContact SD-CB 3.91Å; M153-L197 HydrophobicContact SD-CD1 3.66Å; M153-L197 HydrophobicContact SD-CG 4.44Å; L175-L197 HydrophobicContact CD1-CD2 4.46Å; K193-L197 WeakPolarHBondContact O-CG 3.48Å; E195-L197 VanDerWaalsContact C-N 3.29Å; L197-L205 HydrophobicContact CD1-CD1 4.22Å; L197-L205 HydrophobicContact CD2-CD2 4.03Å; L197-L205 HydrophobicContact CD2-CG 4.42Å; L197-K206 WeakPolarHBondContact CA-O 3.37Å; L197-I207 HydrophobicContact CD2-CB 4.35Å; L197-I207 HydrophobicContact CD2-CG1 3.95Å; L197-L253 HydrophobicContact CD1-CD1 4.34Å; L197-L253 HydrophobicContact CD1-CD2 3.52Å
198	L	98	Very high	95.1	Very high	37 Å²	37	23.4 Å²	23.4	19%	0.194	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	164.3	176.2	-56.3	-179.1	0	0	0	111	L129 A148 G151 E152 L205 K206 A208	L129-L198 HydrophobicContact CD1-CD1 4.19Å; L129-L198 HydrophobicContact CD2-CD1 3.96Å; A148-L198 HydrophobicContact CB-CB 3.58Å; A148-L198 HydrophobicContact CB-CD1 3.96Å; A148-L198 HydrophobicContact CB-CG 4.4Å; G151-L198 CarbonylContact O-C 3.56Å; G151-L198 VanDerWaalsContact O-CA 3.24Å; G151-L198 WeakPolarHBondContact O-CA 3.41Å; E152-L198 HydrophobicContact CB-CD2 4.26Å; E152-L198 HydrophobicContact CG-CD2 3.69Å; L198-L205 CarbonylContact O-C 3.52Å; L198-K206 HydrophobicContact CB-CB 4.23Å; L198-K206 PolarHBondContact N-O 3.46Å; L198-K206 WeakPolarHBondContact O-CB 3.22Å; L198-K206 PolarHBondContact O-N 3.43Å; L198-A208 HydrophobicContact CD1-CB 3.74Å; L198-A208 HydrophobicContact CG-CB 3.69Å
199	L	98.1	Very high	94.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.5	-178.5	-61.5	-179.8	0	0	0	111.3	A148 R150 G151 M153 E156 Y171	A148-L199 CarbonylContact C-O 3.53Å; R150-L199 HydrophobicContact CB-CB 3.67Å; R150-L199 WeakPolarHBondContact CB-O 3.3Å; R150-L199 PolarHBondContact N-O 3.31Å; R150-L199 VanDerWaalsContact N-O 3.11Å; G151-L199 PolarHBondContact O-N 3.34Å; M153-L199 HydrophobicContact CB-CD2 4.37Å; M153-L199 HydrophobicContact CB-CG 4.34Å; E156-L199 HydrophobicContact CB-CD1 3.98Å; E156-L199 HydrophobicContact CG-CD1 4.07Å; Y171-L199 HydrophobicContact CE1-CD2 3.87Å; Y171-L199 WeakPolarHBondContact OH-CD2 3.35Å
200	G	96.3	Very high	94.3	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	12%	0.124	C	C	.	.			trans	-71	-175	176.8	0	0	0	0	0	113.8	R150 R202 G203 E204	R150-G200 WeakPolarHBondContact CD-O 3.23Å; R150-G200 VanDerWaalsContact CG-O 3.27Å; R150-G200 WeakPolarHBondContact CG-O 3.14Å; G200-R202 PolarHBondContact O-N 3.49Å; G200-G203 PolarHBondContact O-N 3.48Å; G200-E204 WeakPolarHBondContact CA-OE2 3.47Å; G200-E204 PolarHBondContact N-O 2.77Å
201	L	94.1	Very high	93.6	Very high	132 Å²	132	24.7 Å²	24.7	69%	0.691	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-40.3	-172.7	-178.7	62	0	0	0	113.6	P149 G203 E204	P149-L201 HydrophobicContact CG-CB 3.97Å; P149-L201 HydrophobicContact CG-CD1 3.99Å; L201-G203 VanDerWaalsContact C-N 3.29Å; L201-E204 PolarHBondContact N-OE2 3.29Å; L201-E204 VanDerWaalsContact N-OE2 3.14Å
202	R	93.3	Very high	92.9	Very high	122 Å²	122	29.1 Å²	29.1	46%	0.46	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	1.4	175.1	-65.6	-177.2	-55.2	-57.2	-28.2	112.1	G200 E204	G200-R202 PolarHBondContact O-N 3.49Å; R202-E204 WeakPolarHBondContact CA-OE2 3.45Å; R202-E204 IonicContact CZ-OE1 2.83Å; R202-E204 PolarHBondContact N-OE2 3.25Å; R202-E204 IonicContact NH1-OE1 2.79Å; R202-E204 IonicContact NH2-OE1 2.8Å; R202-E204 PolarHBondContact NH2-OE1 3.04Å; R202-E204 IonicContact NH2-OE2 3.23Å
203	G	95.3	Very high	91.9	Very high	9 Å²	9	29.1 Å²	29.1	9%	0.093	14%	0.14	C	C	.	.	S	Bend	trans	89.5	12.3	-173.7	0	0	0	0	0	114.4	R150 Y171 G200 L201	R150-G203 VanDerWaalsContact NH1-CA 3.33Å; Y171-G203 WeakPolarHBondContact CE1-O 3.45Å; G200-G203 PolarHBondContact O-N 3.48Å; L201-G203 VanDerWaalsContact C-N 3.29Å
204	E	96.9	Very high	91.1	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.075	14%	0.139	C	C	.	.			trans	-60.2	135.1	172.3	65	-87.7	-128.3	0	0	111.2	E174 G200 L201 R202 P327	E174-E204 WeakPolarHBondContact OE1-CA 3.47Å; E174-E204 VanDerWaalsContact OE1-CB 3.3Å; E174-E204 WeakPolarHBondContact OE1-CB 3.29Å; G200-E204 WeakPolarHBondContact CA-OE2 3.47Å; G200-E204 PolarHBondContact N-O 2.77Å; L201-E204 PolarHBondContact N-OE2 3.29Å; L201-E204 VanDerWaalsContact N-OE2 3.14Å; R202-E204 WeakPolarHBondContact CA-OE2 3.45Å; R202-E204 IonicContact CZ-OE1 2.83Å; R202-E204 PolarHBondContact N-OE2 3.25Å; R202-E204 IonicContact NH1-OE1 2.79Å; R202-E204 IonicContact NH2-OE1 2.8Å; R202-E204 PolarHBondContact NH2-OE1 3.04Å; R202-E204 IonicContact NH2-OE2 3.23Å; E204-P327 HydrophobicContact CG-CG 4.45Å
205	L	98.1	Very high	90	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.3	-179.2	-179.3	150.4	0	0	0	111.6	N127 M153 Y171 E174 L175 L197 L198 I207	N127-L205 WeakPolarHBondContact CA-O 3.26Å; N127-L205 VanDerWaalsContact CB-O 3.25Å; N127-L205 WeakPolarHBondContact CB-O 3.44Å; N127-L205 PolarHBondContact ND2-O 2.81Å; M153-L205 HydrophobicContact SD-CD1 4.08Å; Y171-L205 HydrophobicContact CD1-CB 3.9Å; Y171-L205 HydrophobicContact CD1-CD1 3.99Å; Y171-L205 HydrophobicContact CE1-CB 4.34Å; Y171-L205 HydrophobicContact CG-CD1 3.91Å; E174-L205 HydrophobicContact CB-CB 4.12Å; E174-L205 VanDerWaalsContact OE2-CB 3.27Å; E174-L205 WeakPolarHBondContact OE2-CB 3.42Å; E174-L205 PolarHBondContact OE2-N 3.34Å; L175-L205 HydrophobicContact CB-CD1 4.41Å; L175-L205 HydrophobicContact CB-CD2 4.17Å; L175-L205 HydrophobicContact CD1-CD2 4.32Å; L197-L205 HydrophobicContact CD1-CD1 4.22Å; L197-L205 HydrophobicContact CD2-CD2 4.03Å; L197-L205 HydrophobicContact CD2-CG 4.42Å; L198-L205 CarbonylContact O-C 3.52Å; L205-I207 HydrophobicContact CD2-CG1 4.36Å
206	K	98.4	Very high	88.5	Confident	7 Å²	7	30.8 Å²	30.8	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112.2	-179.4	-64.9	-69.1	-168.6	160	0	110.9	P126 N127 L129 E146 L197 L198 A208	P126-K206 WeakPolarHBondContact O-CD 3.42Å; P126-K206 VanDerWaalsContact O-CE 3.23Å; P126-K206 WeakPolarHBondContact O-CE 3.26Å; P126-K206 PolarHBondContact O-NZ 2.91Å; N127-K206 WeakPolarHBondContact O-CA 3.43Å; L129-K206 HydrophobicContact CB-CB 4.36Å; L129-K206 HydrophobicContact CD1-CB 4.1Å; L129-K206 HydrophobicContact CD1-CG 4.34Å; E146-K206 VanDerWaalsContact OE1-CE 3.3Å; E146-K206 WeakPolarHBondContact OE1-CE 3.27Å; E146-K206 IonicContact OE1-NZ 3.62Å; E146-K206 PolarHBondContact OE1-NZ 2.93Å; E146-K206 WeakPolarHBondContact OE2-CE 3.22Å; E146-K206 IonicContact OE2-NZ 3.94Å; E146-K206 PolarHBondContact OE2-NZ 3.38Å; L197-K206 WeakPolarHBondContact CA-O 3.37Å; L198-K206 HydrophobicContact CB-CB 4.23Å; L198-K206 PolarHBondContact N-O 3.46Å; L198-K206 WeakPolarHBondContact O-CB 3.22Å; L198-K206 PolarHBondContact O-N 3.43Å; K206-A208 PolarHBondContact O-N 2.81Å
207	I	98.1	Very high	86.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	121.3	169.2	-53.5	178.4	0	0	0	109.2	N127 I128 L129 L175 A178 L179 H189 I192 L197 L205 F210	N127-I207 PolarHBondContact O-N 2.97Å; I128-I207 HydrophobicContact CG1-CB 4.49Å; I128-I207 HydrophobicContact CG1-CD1 4.42Å; L129-I207 VanDerWaalsContact CB-O 3.26Å; L129-I207 WeakPolarHBondContact CB-O 3.31Å; L129-I207 PolarHBondContact N-O 2.7Å; L175-I207 HydrophobicContact CD1-CD1 3.82Å; L175-I207 HydrophobicContact CD1-CG1 4.02Å; A178-I207 HydrophobicContact CB-CD1 3.62Å; A178-I207 HydrophobicContact CB-CG1 4.33Å; L179-I207 HydrophobicContact CD2-CD1 4.27Å; L179-I207 HydrophobicContact CG-CD1 4.21Å; H189-I207 VanDerWaalsContact CD2-CG2 3.48Å; H189-I207 WeakPolarHBondContact CD2-CG2 3.39Å; H189-I207 WeakPolarHBondContact NE2-CG2 3.2Å; I192-I207 HydrophobicContact CD1-CD1 4.23Å; I192-I207 HydrophobicContact CD1-CG1 4.47Å; I192-I207 HydrophobicContact CD1-CG2 4.23Å; L197-I207 HydrophobicContact CD2-CB 4.35Å; L197-I207 HydrophobicContact CD2-CG1 3.95Å; L205-I207 HydrophobicContact CD2-CG1 4.36Å; I207-F210 HydrophobicContact CB-CE2 4.27Å; I207-F210 HydrophobicContact CB-CZ 4.23Å; I207-F210 HydrophobicContact CG2-CE2 3.71Å; I207-F210 HydrophobicContact CG2-CZ 3.69Å
208	A	91.8	Very high	84	Confident	15 Å²	15	39.1 Å²	39.1	12%	0.124	21%	0.21	C	C	.	.			trans	-114.1	-33.7	-167.6	0	0	0	0	0	116.2	Q120 L129 N196 L198 K206	Q120-A208 PolarHBondContact NE2-O 2.86Å; L129-A208 HydrophobicContact CB-CB 4.24Å; L129-A208 HydrophobicContact CD2-CB 3.88Å; N196-A208 PolarHBondContact O-N 2.81Å; L198-A208 HydrophobicContact CD1-CB 3.74Å; L198-A208 HydrophobicContact CG-CB 3.69Å; K206-A208 PolarHBondContact O-N 2.81Å
209	D	83.8	Confident	81.5	Confident	51 Å²	51	42.2 Å²	42.2	27%	0.273	23%	0.226	S	C	.	.			trans	-112.7	100.5	-173	-163.6	-26.2	0	0	0	113	H189 N196 G211	H189-D209 PolarHBondContact CE1-O 2.86Å; H189-D209 VanDerWaalsContact CE1-O 3.29Å; H189-D209 PolarHBondContact NE2-O 3.4Å; N196-D209 HydrophobicContact CB-CB 4.15Å; D209-G211 VanDerWaalsContact C-N 3.32Å; D209-G211 WeakPolarHBondContact OD1-CA 3.1Å; D209-G211 PolarHBondContact OD1-N 3.08Å
210	F	85.9	Confident	79.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.			trans	-90.8	13.5	176.8	-72.6	-98.9	0	0	0	113.2	E116 I119 Q120 L123 I128 H189 I207 W212 S213	E116-F210 HydrophobicContact CG-CB 4.4Å; I119-F210 HydrophobicContact CG2-CD1 3.92Å; Q120-F210 HydrophobicContact CB-CD2 4.35Å; Q120-F210 HydrophobicContact CB-CG 4.44Å; Q120-F210 HydrophobicContact CG-CD2 3.83Å; Q120-F210 HydrophobicContact CG-CE2 4.22Å; Q120-F210 HydrophobicContact CG-CG 4.4Å; L123-F210 HydrophobicContact CD1-CD1 3.78Å; L123-F210 HydrophobicContact CD1-CE1 3.23Å; L123-F210 HydrophobicContact CD1-CE2 4.37Å; L123-F210 HydrophobicContact CD1-CZ 3.58Å; I128-F210 HydrophobicContact CD1-CZ 4.37Å; I128-F210 HydrophobicContact CG1-CZ 4.45Å; I128-F210 HydrophobicContact CG2-CE2 3.75Å; I128-F210 HydrophobicContact CG2-CZ 3.72Å; H189-F210 AromaticContact CD2-CE1 3.82Å; I207-F210 HydrophobicContact CB-CE2 4.27Å; I207-F210 HydrophobicContact CB-CZ 4.23Å; I207-F210 HydrophobicContact CG2-CE2 3.71Å; I207-F210 HydrophobicContact CG2-CZ 3.69Å; F210-W212 PolarHBondContact O-N 2.98Å; F210-S213 WeakPolarHBondContact CA-OG 3.43Å; F210-S213 VanDerWaalsContact CD1-OG 3.24Å; F210-S213 WeakPolarHBondContact CD1-OG 3.49Å; F210-S213 VanDerWaalsContact O-CB 3.25Å; F210-S213 WeakPolarHBondContact O-CB 3.38Å; F210-S213 PolarHBondContact O-N 3.23Å; F210-S213 PolarHBondContact O-OG 3.38Å
211	G	75.8	Confident	77.4	Confident	7 Å²	7	55.5 Å²	55.5	7%	0.072	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.3	-177	0	0	0	0	0	114.1	Q112 D209	Q112-G211 WeakPolarHBondContact CG-O 3.24Å; Q112-G211 PolarHBondContact NE2-O 3.12Å; D209-G211 VanDerWaalsContact C-N 3.32Å; D209-G211 WeakPolarHBondContact OD1-CA 3.1Å; D209-G211 PolarHBondContact OD1-N 3.08Å
212	W	75.9	Confident	75.2	Confident	99 Å²	99	58.8 Å²	58.8	38%	0.375	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.9	173.4	-68.4	108.6	0	0	0	114.2	H189 R190 D191 F210 C225	H189-W212 CarbonylContact O-C 3.56Å; R190-W212 VanDerWaalsContact CZ-O 3.32Å; R190-W212 PolarHBondContact NE-O 3.17Å; R190-W212 PolarHBondContact NH2-O 2.91Å; D191-W212 HydrophobicContact CB-CB 3.95Å; D191-W212 HydrophobicContact CB-CG 4.09Å; D191-W212 VanDerWaalsContact OD2-CD1 3.27Å; F210-W212 PolarHBondContact O-N 2.98Å; W212-C225 HydrophobicContact CD2-CB 3.83Å; W212-C225 HydrophobicContact CE3-CB 3.4Å; W212-C225 VanDerWaalsContact CE3-CB 3.4Å; W212-C225 HydrophobicContact CG-CB 4.5Å; W212-C225 HydrophobicContact CH2-CB 4.24Å; W212-C225 HydrophobicContact CZ3-CB 3.64Å
213	S	76.6	Confident	73.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.			trans	-69.8	152.1	-177.2	-58.9	0	0	0	0	112.4	R115 I188 H189 F210	R115-S213 WeakPolarHBondContact CD-O 3.38Å; I188-S213 WeakPolarHBondContact O-CA 3.18Å; I188-S213 WeakPolarHBondContact O-CB 3.43Å; H189-S213 WeakPolarHBondContact CA-OG 3.44Å; H189-S213 PolarHBondContact O-N 2.94Å; H189-S213 PolarHBondContact O-OG 2.79Å; F210-S213 WeakPolarHBondContact CA-OG 3.43Å; F210-S213 VanDerWaalsContact CD1-OG 3.24Å; F210-S213 WeakPolarHBondContact CD1-OG 3.49Å; F210-S213 VanDerWaalsContact O-CB 3.25Å; F210-S213 WeakPolarHBondContact O-CB 3.38Å; F210-S213 PolarHBondContact O-N 3.23Å; F210-S213 PolarHBondContact O-OG 3.38Å
214	V	76.9	Confident	71.4	Confident	11 Å²	11	61.7 Å²	61.7	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.8	179.9	-70.7	0	0	0	0	111.1	V187 I188 A216	V187-V214 WeakPolarHBondContact CA-O 3.35Å; I188-V214 HydrophobicContact CB-CG2 4.29Å; I188-V214 PolarHBondContact N-O 3.32Å; I188-V214 PolarHBondContact O-N 2.92Å; I188-V214 VanDerWaalsContact O-N 3.12Å; V214-A216 HydrophobicContact CG2-CB 4.47Å
215	H	71.9	Confident	69.4	Low	101 Å²	101	61.3 Å²	61.3	47%	0.468	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.4	161.1	-158.5	71.1	0	0	0	108	R185 K186 P217	R185-H215 PolarHBondContact O-CE1 3.35Å; R185-H215 PolarHBondContact O-ND1 2.79Å; K186-H215 CarbonylContact O-C 3.35Å; K186-H215 WeakPolarHBondContact O-CA 3.39Å; H215-P217 WeakPolarHBondContact O-CD 3.3Å
216	A	61.2	Low	67.5	Low	20 Å²	20	62.9 Å²	62.9	17%	0.165	32%	0.317	C	S	.	.			trans	-124.1	64.6	-172.5	0	0	0	0	0	111.9	K186 I188 V214 S218	K186-A216 PolarHBondContact O-N 2.81Å; I188-A216 HydrophobicContact CD1-CB 3.65Å; I188-A216 HydrophobicContact CG1-CB 4.16Å; V214-A216 HydrophobicContact CG2-CB 4.47Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 3.46Å
217	P	51.7	Low	66.3	Low	88 Å²	88	64.6 Å²	64.6	57%	0.571	33%	0.328	S	S	*	.	S	Bend	trans	-70	-22.3	-179.6	28	-34.5	0	0	0	113.7	H215	H215-P217 WeakPolarHBondContact O-CD 3.3Å
218	S	47	Very low	65.5	Low	102 Å²	102	65.9 Å²	65.9	71%	0.713	34%	0.335	S	S	*	.	S	Bend	trans	-154.3	3.2	-173	59.3	0	0	0	0	117.3	A216	A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 3.46Å
219	L	45.2	Very low	65.4	Low	102 Å²	102	66.3 Å²	66.3	53%	0.534	34%	0.335	S	S	.	.			trans	-129.3	103.8	-171.3	-78.2	169	0	0	0	114.3	R221	L219-R221 VanDerWaalsContact O-CD 3.3Å; L219-R221 WeakPolarHBondContact O-CD 3.4Å; L219-R221 VanDerWaalsContact O-CG 3.29Å; L219-R221 WeakPolarHBondContact O-CG 3.29Å; L219-R221 PolarHBondContact O-NE 3.12Å; L219-R221 VanDerWaalsContact O-NE 3.09Å
220	R	51.6	Low	65.9	Low	191 Å²	191	64.4 Å²	64.4	72%	0.721	32%	0.324	S	S	*	.			trans	-36.6	128.7	147.8	-84.3	179	157.5	-170.2	-0.9	112	I240	R220-I240 HydrophobicContact CB-CD1 4.3Å; R220-I240 HydrophobicContact CB-CG1 4.48Å; R220-I240 HydrophobicContact CB-CG2 3.35Å; R220-I240 HydrophobicContact CG-CG2 3.37Å
221	R	56.2	Low	66.3	Low	92 Å²	92	64.8 Å²	64.8	35%	0.347	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-119.8	158.4	-171.2	-60.5	-54.9	-178.8	151.3	3.3	114.5	L219 I240 H241	L219-R221 VanDerWaalsContact O-CD 3.3Å; L219-R221 WeakPolarHBondContact O-CD 3.4Å; L219-R221 VanDerWaalsContact O-CG 3.29Å; L219-R221 WeakPolarHBondContact O-CG 3.29Å; L219-R221 PolarHBondContact O-NE 3.12Å; L219-R221 VanDerWaalsContact O-NE 3.09Å; R221-I240 VanDerWaalsContact O-CA 3.3Å; R221-I240 WeakPolarHBondContact O-CA 3.34Å; R221-H241 PolarHBondContact N-O 3.27Å; R221-H241 PolarHBondContact O-N 2.83Å; R221-H241 PolarHBondContact O-ND1 3.5Å
222	R	48.8	Very low	67.2	Low	202 Å²	202	64.6 Å²	64.6	76%	0.762	32%	0.324	S	S	*	.			trans	-121.6	-1.3	178.3	-66.1	-170.5	-178.7	-160.3	1	115	M224 I240	R222-M224 PolarHBondContact O-N 2.77Å; R222-I240 HydrophobicContact CG-CG1 4.35Å
223	T	53.8	Low	68.2	Low	82 Å²	82	59.9 Å²	59.9	50%	0.503	31%	0.306	S	S	.	.			trans	-73	118.7	-176.1	-50.7	0	0	0	0	111.2	C225 H241	T223-C225 PolarHBondContact O-N 3.01Å; T223-H241 PolarHBondContact O-CE1 3.08Å; T223-H241 VanDerWaalsContact O-CE1 3.23Å
224	M	53.1	Low	69.1	Low	110 Å²	110	60.2 Å²	60.2	54%	0.542	31%	0.307	S	S	.	.			trans	-71.4	123.3	170.3	-173.1	-179.2	-72	0	0	109.6	R222	R222-M224 PolarHBondContact O-N 2.77Å
225	C	55.4	Low	69.8	Low	8 Å²	8	60.1 Å²	60.1	5%	0.054	31%	0.306	C	S	.	.			trans	-158	151.2	177.3	58.6	0	0	0	0	110.6	R190 W212 T223 L231	R190-C225 PolarHBondContact NH1-SG 2.82Å; R190-C225 VanDerWaalsContact NH1-SG 3.43Å; W212-C225 HydrophobicContact CD2-CB 3.83Å; W212-C225 HydrophobicContact CE3-CB 3.4Å; W212-C225 VanDerWaalsContact CE3-CB 3.4Å; W212-C225 HydrophobicContact CG-CB 4.5Å; W212-C225 HydrophobicContact CH2-CB 4.24Å; W212-C225 HydrophobicContact CZ3-CB 3.64Å; T223-C225 PolarHBondContact O-N 3.01Å; C225-L231 WeakPolarHBondContact O-CD2 3.45Å
226	G	58.7	Low	70.7	Confident	32 Å²	32	57 Å²	57	33%	0.33	29%	0.292	S	S	.	.	S	Bend	trans	126	179.6	-177	0	0	0	0	0	112.2
227	T	72.3	Confident	72.1	Confident	43 Å²	43	59.3 Å²	59.3	26%	0.264	30%	0.3	S	S	.	.			trans	-84.5	143.8	167.2	-59.3	0	0	0	0	110	K193 D229 Y230 L231	K193-T227 WeakPolarHBondContact CD-OG1 3.4Å; K193-T227 WeakPolarHBondContact CE-OG1 3.3Å; K193-T227 PolarHBondContact NZ-OG1 3.05Å; T227-D229 PolarHBondContact O-N 3.14Å; T227-Y230 WeakPolarHBondContact O-CA 3.49Å; T227-Y230 WeakPolarHBondContact O-CB 3.27Å; T227-Y230 PolarHBondContact O-N 2.99Å; T227-L231 PolarHBondContact O-N 3.46Å
228	L	83	Confident	73.8	Confident	28 Å²	28	57.5 Å²	57.5	15%	0.147	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-48.7	-50	-170.6	-178.3	120.5	0	0	0	113.6	Y230 L231 H269 T272 Y273	L228-Y230 PolarHBondContact O-N 3.22Å; L228-L231 WeakPolarHBondContact O-CB 3.48Å; L228-L231 PolarHBondContact O-N 3.2Å; L228-H269 HydrophobicContact CD1-CB 3.87Å; L228-T272 HydrophobicContact CD2-CG2 3.56Å; L228-T272 HydrophobicContact CG-CG2 4.44Å; L228-Y273 HydrophobicContact CD1-CD1 4.39Å; L228-Y273 HydrophobicContact CD1-CE1 3.48Å; L228-Y273 VanDerWaalsContact CD1-CE1 3.48Å; L228-Y273 HydrophobicContact CG-CE1 3.88Å
229	D	88.8	Confident	75.9	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.128	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-73.6	-11.6	-175.8	-50	-84.8	0	0	0	113.7	T227 P262 E265	T227-D229 PolarHBondContact O-N 3.14Å; D229-P262 HydrophobicContact CB-CB 3.76Å; D229-P262 HydrophobicContact CB-CG 3.95Å; D229-E265 WeakPolarHBondContact OD1-CA 3.49Å
230	Y	95.1	Very high	77.8	Confident	11 Å²	11	56.6 Å²	56.6	4%	0.043	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-101.8	-5.6	177.8	-82.9	-96.7	0	0	0	113.5	I192 K193 P194 T227 L228 V252 L253 E256	I192-Y230 WeakPolarHBondContact O-CD1 3.33Å; I192-Y230 WeakPolarHBondContact O-CE1 3.41Å; K193-Y230 HydrophobicContact CB-CD1 4.25Å; K193-Y230 HydrophobicContact CB-CD2 4.24Å; K193-Y230 HydrophobicContact CB-CE1 4.15Å; K193-Y230 HydrophobicContact CB-CE2 4.15Å; K193-Y230 HydrophobicContact CB-CG 4.3Å; P194-Y230 WeakPolarHBondContact CD-OH 3.07Å; T227-Y230 WeakPolarHBondContact O-CA 3.49Å; T227-Y230 WeakPolarHBondContact O-CB 3.27Å; T227-Y230 PolarHBondContact O-N 2.99Å; L228-Y230 PolarHBondContact O-N 3.22Å; Y230-V252 HydrophobicContact CD1-CB 3.87Å; Y230-V252 HydrophobicContact CD1-CG1 3.64Å; Y230-V252 HydrophobicContact CD2-CG1 3.92Å; Y230-V252 HydrophobicContact CE1-CB 3.77Å; Y230-V252 HydrophobicContact CE1-CG1 3.47Å; Y230-V252 VanDerWaalsContact CE1-CG1 3.47Å; Y230-V252 HydrophobicContact CE2-CG1 3.75Å; Y230-V252 HydrophobicContact CG-CB 4.48Å; Y230-V252 HydrophobicContact CG-CG1 3.86Å; Y230-L253 HydrophobicContact CE1-CB 4.11Å; Y230-L253 WeakPolarHBondContact OH-CA 3.26Å; Y230-E256 VanDerWaalsContact CE2-OE2 3.26Å; Y230-E256 WeakPolarHBondContact CE2-OE2 2.98Å; Y230-E256 VanDerWaalsContact CZ-OE2 3.28Å; Y230-E256 PolarHBondContact OH-OE2 3.04Å
231	L	93	Very high	79.5	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	25%	0.246	C	C	.	.			trans	-66.3	132.8	178.9	-67.9	177	0	0	0	110.9	C225 T227 L228 M235 I236 W248 Y273 I276	C225-L231 WeakPolarHBondContact O-CD2 3.45Å; T227-L231 PolarHBondContact O-N 3.46Å; L228-L231 WeakPolarHBondContact O-CB 3.48Å; L228-L231 PolarHBondContact O-N 3.2Å; L231-M235 HydrophobicContact CD2-SD 3.99Å; L231-I236 HydrophobicContact CB-CD1 4.19Å; L231-I236 HydrophobicContact CB-CG1 4.08Å; L231-I236 HydrophobicContact CD1-CG1 4.36Å; L231-W248 PolarHBondContact O-NE1 3.49Å; L231-W248 VanDerWaalsContact O-NE1 3.08Å; L231-Y273 HydrophobicContact CD1-CE1 4.22Å; L231-I276 WeakPolarHBondContact O-CG2 3.38Å
232	P	95.6	Very high	81.1	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.019	24%	0.242	C	C	.	.			trans	-80.4	155.8	174	35.1	-37.3	0	0	0	111.5	E234 M235 I236 V245 W248	P232-E234 VanDerWaalsContact C-N 3.27Å; P232-E234 HydrophobicContact CG-CG 4.43Å; P232-E234 PolarHBondContact O-N 3.08Å; P232-E234 VanDerWaalsContact O-N 3.17Å; P232-M235 HydrophobicContact CG-CB 4.13Å; P232-M235 HydrophobicContact CG-CG 3.81Å; P232-M235 HydrophobicContact CG-SD 4.04Å; P232-M235 PolarHBondContact O-N 2.93Å; P232-I236 PolarHBondContact O-N 3.23Å; P232-V245 HydrophobicContact CG-CB 4.07Å; P232-V245 HydrophobicContact CG-CG1 3.83Å; P232-W248 HydrophobicContact CB-CB 3.93Å; P232-W248 HydrophobicContact CB-CD2 4.12Å; P232-W248 HydrophobicContact CB-CG 3.64Å
233	P	96.6	Very high	83.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-53.1	-40.8	-176.2	-28.7	36.2	0	0	0	113.9	M235 I236 E237 W248 I276	P233-M235 VanDerWaalsContact C-N 3.28Å; P233-M235 PolarHBondContact O-N 2.84Å; P233-I236 PolarHBondContact O-N 2.94Å; P233-E237 WeakPolarHBondContact O-CB 3.41Å; P233-E237 VanDerWaalsContact O-CG 3.26Å; P233-E237 WeakPolarHBondContact O-CG 3.36Å; P233-E237 PolarHBondContact O-N 3.41Å; P233-W248 HydrophobicContact CG-CE3 4.41Å; P233-W248 HydrophobicContact CG-CH2 3.79Å; P233-W248 HydrophobicContact CG-CZ2 4.27Å; P233-W248 HydrophobicContact CG-CZ3 3.87Å; P233-I276 HydrophobicContact CG-CG2 3.92Å
234	E	94.9	Very high	85.3	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-28.9	179.2	64.3	-86.2	-157.7	0	0	113.8	P232 G238 K239 H241 P303 R306	P232-E234 VanDerWaalsContact C-N 3.27Å; P232-E234 HydrophobicContact CG-CG 4.43Å; P232-E234 PolarHBondContact O-N 3.08Å; P232-E234 VanDerWaalsContact O-N 3.17Å; E234-G238 PolarHBondContact O-N 3.09Å; E234-K239 HydrophobicContact CB-CB 3.96Å; E234-K239 WeakPolarHBondContact O-CA 3.41Å; E234-K239 WeakPolarHBondContact O-CB 3.49Å; E234-K239 PolarHBondContact O-N 2.61Å; E234-H241 HydrophobicContact CG-CB 3.93Å; E234-P303 HydrophobicContact CG-CG 4.28Å; E234-R306 IonicContact OE1-CZ 3.88Å; E234-R306 IonicContact OE1-NH1 2.81Å; E234-R306 PolarHBondContact OE1-NH1 3.34Å; E234-R306 IonicContact OE1-NH2 3.65Å; E234-R306 PolarHBondContact OE1-NH2 2.77Å; E234-R306 IonicContact OE2-CZ 3.76Å; E234-R306 IonicContact OE2-NH1 3.78Å; E234-R306 IonicContact OE2-NH2 3.22Å; E234-R306 PolarHBondContact OE2-NH2 2.76Å
235	M	91.4	Very high	87.4	Confident	9 Å²	9	33 Å²	33	4%	0.044	18%	0.184	C	C	.	.	H	α-helix	trans	-74.5	-39.8	174.3	-78	-171.4	-179.8	0	0	111.7	L231 P232 P233 G238 V245	L231-M235 HydrophobicContact CD2-SD 3.99Å; P232-M235 HydrophobicContact CG-CB 4.13Å; P232-M235 HydrophobicContact CG-CG 3.81Å; P232-M235 HydrophobicContact CG-SD 4.04Å; P232-M235 PolarHBondContact O-N 2.93Å; P233-M235 VanDerWaalsContact C-N 3.28Å; P233-M235 PolarHBondContact O-N 2.84Å; M235-G238 PolarHBondContact O-N 2.74Å; M235-V245 HydrophobicContact CE-CB 4.47Å; M235-V245 HydrophobicContact CE-CG1 4.14Å
236	I	91.1	Very high	89.4	Confident	35 Å²	35	32.7 Å²	32.7	18%	0.179	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-40.2	177.7	-62.7	173	0	0	0	110.5	L231 P232 P233 G238 Y273 I276 T277	L231-I236 HydrophobicContact CB-CD1 4.19Å; L231-I236 HydrophobicContact CB-CG1 4.08Å; L231-I236 HydrophobicContact CD1-CG1 4.36Å; P232-I236 PolarHBondContact O-N 3.23Å; P233-I236 PolarHBondContact O-N 2.94Å; I236-G238 PolarHBondContact O-N 3.13Å; I236-Y273 HydrophobicContact CD1-CD1 3.69Å; I236-Y273 HydrophobicContact CD1-CE1 4.31Å; I236-Y273 HydrophobicContact CD1-CG 4.32Å; I236-Y273 HydrophobicContact CG1-CD1 4.15Å; I236-Y273 HydrophobicContact CG1-CE1 4.4Å; I236-Y273 HydrophobicContact CG2-CD1 4.33Å; I236-Y273 HydrophobicContact CG2-CD2 4.45Å; I236-Y273 HydrophobicContact CG2-CG 4.05Å; I236-I276 HydrophobicContact CD1-CB 3.74Å; I236-I276 HydrophobicContact CD1-CD1 3.69Å; I236-I276 HydrophobicContact CD1-CG1 4.31Å; I236-I276 HydrophobicContact CD1-CG2 3.44Å; I236-I276 VanDerWaalsContact CD1-CG2 3.44Å; I236-T277 HydrophobicContact CB-CG2 4.23Å; I236-T277 HydrophobicContact CG2-CG2 3.84Å
237	E	92.1	Very high	91.3	Very high	69 Å²	69	31.3 Å²	31.3	32%	0.322	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	4.7	177.9	-66.5	170.2	-177.7	0	0	113.3	P233 K239 T277 H301	P233-E237 WeakPolarHBondContact O-CB 3.41Å; P233-E237 VanDerWaalsContact O-CG 3.26Å; P233-E237 WeakPolarHBondContact O-CG 3.36Å; P233-E237 PolarHBondContact O-N 3.41Å; E237-K239 HydrophobicContact CB-CD 4.06Å; E237-K239 HydrophobicContact CB-CG 4.06Å; E237-K239 PolarHBondContact O-N 3.01Å; E237-K239 VanDerWaalsContact O-N 3.14Å; E237-K239 WeakPolarHBondContact OE2-CD 3.31Å; E237-K239 WeakPolarHBondContact OE2-CE 3.45Å; E237-K239 IonicContact OE2-NZ 3.13Å; E237-K239 PolarHBondContact OE2-NZ 3.04Å; E237-T277 HydrophobicContact CG-CG2 4Å; E237-H301 IonicContact OE1-CD2 2.81Å; E237-H301 IonicContact OE1-CE1 4Å; E237-H301 PolarHBondContact OE1-CE1 3Å; E237-H301 IonicContact OE1-NE2 2.71Å; E237-H301 PolarHBondContact OE1-NE2 2.79Å; E237-H301 IonicContact OE2-CE1 3.84Å; E237-H301 IonicContact OE2-NE2 2.85Å
238	G	87.2	Confident	92.5	Very high	51 Å²	51	29.3 Å²	29.3	53%	0.526	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	16.1	-179.4	0	0	0	0	0	114.2	E234 M235 I236	E234-G238 PolarHBondContact O-N 3.09Å; M235-G238 PolarHBondContact O-N 2.74Å; I236-G238 PolarHBondContact O-N 3.13Å
239	K	89.7	Confident	93.2	Very high	109 Å²	109	28.1 Å²	28.1	47%	0.474	15%	0.148	S	C	.	.			trans	-77.3	168.2	180	-69.7	174.9	179.4	168.4	0	110.6	E234 E237	E234-K239 HydrophobicContact CB-CB 3.96Å; E234-K239 WeakPolarHBondContact O-CA 3.41Å; E234-K239 WeakPolarHBondContact O-CB 3.49Å; E234-K239 PolarHBondContact O-N 2.61Å; E237-K239 HydrophobicContact CB-CD 4.06Å; E237-K239 HydrophobicContact CB-CG 4.06Å; E237-K239 PolarHBondContact O-N 3.01Å; E237-K239 VanDerWaalsContact O-N 3.14Å; E237-K239 WeakPolarHBondContact OE2-CD 3.31Å; E237-K239 WeakPolarHBondContact OE2-CE 3.45Å; E237-K239 IonicContact OE2-NZ 3.13Å; E237-K239 PolarHBondContact OE2-NZ 3.04Å
240	I	86.3	Confident	93.6	Very high	76 Å²	76	27 Å²	27	39%	0.39	14%	0.142	S	C	.	.			trans	-71.1	136.6	172.3	-79.1	170.4	0	0	0	109.9	R220 R221 R222	R220-I240 HydrophobicContact CB-CD1 4.3Å; R220-I240 HydrophobicContact CB-CG1 4.48Å; R220-I240 HydrophobicContact CB-CG2 3.35Å; R220-I240 HydrophobicContact CG-CG2 3.37Å; R221-I240 VanDerWaalsContact O-CA 3.3Å; R221-I240 WeakPolarHBondContact O-CA 3.34Å; R222-I240 HydrophobicContact CG-CG1 4.35Å
241	H	86.1	Confident	93.8	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-120.2	158.3	173	61.5	-94.9	0	0	0	113.3	R190 R221 T223 E234 V245	R190-H241 PolarHBondContact NH1-NE2 3.25Å; R221-H241 PolarHBondContact N-O 3.27Å; R221-H241 PolarHBondContact O-N 2.83Å; R221-H241 PolarHBondContact O-ND1 3.5Å; T223-H241 PolarHBondContact O-CE1 3.08Å; T223-H241 VanDerWaalsContact O-CE1 3.23Å; E234-H241 HydrophobicContact CG-CB 3.93Å; H241-V245 HydrophobicContact CB-CG1 3.59Å
242	D	91.2	Very high	94.1	Very high	51 Å²	51	26.1 Å²	26.1	27%	0.273	14%	0.138	S	C	.	.			trans	-134.7	-158.4	-179.7	60.7	22.9	0	0	0	110.4	K244 V245	D242-K244 PolarHBondContact O-N 3.47Å; D242-K244 WeakPolarHBondContact OD1-CB 3.01Å; D242-K244 VanDerWaalsContact OD1-CG 3.22Å; D242-K244 WeakPolarHBondContact OD1-CG 3.31Å; D242-K244 PolarHBondContact OD1-N 3Å; D242-V245 WeakPolarHBondContact O-CG2 2.96Å
243	E	93.9	Very high	94.2	Very high	69 Å²	69	26 Å²	26	32%	0.322	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.4	-177.8	76.8	-71	163.5	0	0	114.6	H183 I188 V245 D246	H183-E243 PolarHBondContact CE1-O 3.1Å; H183-E243 VanDerWaalsContact CE1-O 3.26Å; I188-E243 HydrophobicContact CD1-CB 4.2Å; I188-E243 HydrophobicContact CG1-CB 3.92Å; I188-E243 HydrophobicContact CG2-CB 4.45Å; E243-V245 PolarHBondContact O-N 2.92Å; E243-V245 VanDerWaalsContact O-N 3.12Å; E243-D246 PolarHBondContact O-N 3.35Å
244	K	96.9	Very high	94.3	Very high	56 Å²	56	26 Å²	26	24%	0.243	14%	0.137	C	C	.	.	H	α-helix	trans	-70.9	-5.4	-178.7	-55.1	-64	173.2	60	0	113.6	D242 D246 L247 W248 P303 R306	D242-K244 PolarHBondContact O-N 3.47Å; D242-K244 WeakPolarHBondContact OD1-CB 3.01Å; D242-K244 VanDerWaalsContact OD1-CG 3.22Å; D242-K244 WeakPolarHBondContact OD1-CG 3.31Å; D242-K244 PolarHBondContact OD1-N 3Å; K244-D246 VanDerWaalsContact C-N 3.33Å; K244-L247 HydrophobicContact CB-CD1 4.35Å; K244-L247 HydrophobicContact CD-CD1 3.41Å; K244-L247 VanDerWaalsContact CD-CD1 3.41Å; K244-L247 HydrophobicContact CD-CG 4.42Å; K244-L247 HydrophobicContact CG-CD1 4.48Å; K244-L247 WeakPolarHBondContact O-CB 3.27Å; K244-L247 PolarHBondContact O-N 3.33Å; K244-W248 PolarHBondContact O-N 2.87Å; K244-P303 HydrophobicContact CB-CB 3.77Å; K244-P303 HydrophobicContact CG-CB 4.33Å; K244-R306 PolarHBondContact O-NH1 2.88Å
245	V	95.8	Very high	94.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-66	-36.6	169.4	-57.3	0	0	0	0	111.6	I188 R190 P232 M235 H241 D242 E243 L247 W248 S249	I188-V245 HydrophobicContact CG2-CG2 3.82Å; R190-V245 HydrophobicContact CG-CG2 4.01Å; P232-V245 HydrophobicContact CG-CB 4.07Å; P232-V245 HydrophobicContact CG-CG1 3.83Å; M235-V245 HydrophobicContact CE-CB 4.47Å; M235-V245 HydrophobicContact CE-CG1 4.14Å; H241-V245 HydrophobicContact CB-CG1 3.59Å; D242-V245 WeakPolarHBondContact O-CG2 2.96Å; E243-V245 PolarHBondContact O-N 2.92Å; E243-V245 VanDerWaalsContact O-N 3.12Å; V245-L247 VanDerWaalsContact C-N 3.26Å; V245-L247 PolarHBondContact O-N 3.25Å; V245-W248 WeakPolarHBondContact O-CB 3.46Å; V245-W248 PolarHBondContact O-N 2.9Å; V245-W248 VanDerWaalsContact O-N 3.12Å; V245-S249 PolarHBondContact O-N 3.2Å; V245-S249 VanDerWaalsContact O-N 3.11Å; V245-S249 PolarHBondContact O-OG 3.35Å
246	D	97.2	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-32.7	179.6	-66.1	-24.1	0	0	0	110.5	L179 H183 I188 H189 R190 E243 K244 W248 S249 I250	L179-D246 HydrophobicContact CD1-CB 4.24Å; L179-D246 HydrophobicContact CD2-CB 4.19Å; H183-D246 IonicContact CD2-OD2 2.75Å; H183-D246 IonicContact CE1-OD2 3.15Å; H183-D246 IonicContact NE2-OD2 3.59Å; H183-D246 PolarHBondContact NE2-OD2 3.29Å; I188-D246 WeakPolarHBondContact CG2-OD2 3.36Å; H189-D246 PolarHBondContact N-OD1 3.04Å; H189-D246 PolarHBondContact N-OD2 2.87Å; R190-D246 PolarHBondContact N-OD1 3.4Å; E243-D246 PolarHBondContact O-N 3.35Å; K244-D246 VanDerWaalsContact C-N 3.33Å; D246-W248 PolarHBondContact O-N 2.92Å; D246-S249 PolarHBondContact O-N 3.37Å; D246-I250 VanDerWaalsContact O-CG1 3.3Å; D246-I250 WeakPolarHBondContact O-CG1 3.4Å; D246-I250 PolarHBondContact O-N 2.75Å
247	L	98.5	Very high	95.2	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-40.2	172.8	-63.2	178	0	0	0	112.9	K244 V245 I250 G251 L298 R306 L307 L309	K244-L247 HydrophobicContact CB-CD1 4.35Å; K244-L247 HydrophobicContact CD-CD1 3.41Å; K244-L247 VanDerWaalsContact CD-CD1 3.41Å; K244-L247 HydrophobicContact CD-CG 4.42Å; K244-L247 HydrophobicContact CG-CD1 4.48Å; K244-L247 WeakPolarHBondContact O-CB 3.27Å; K244-L247 PolarHBondContact O-N 3.33Å; V245-L247 VanDerWaalsContact C-N 3.26Å; V245-L247 PolarHBondContact O-N 3.25Å; L247-I250 HydrophobicContact CD2-CD1 4.46Å; L247-I250 PolarHBondContact O-N 2.69Å; L247-G251 PolarHBondContact O-N 2.68Å; L247-G251 VanDerWaalsContact O-N 3.14Å; L247-L298 HydrophobicContact CB-CD2 4.21Å; L247-L298 HydrophobicContact CD2-CD2 4.29Å; L247-R306 HydrophobicContact CB-CB 4.11Å; L247-R306 HydrophobicContact CD1-CB 3.73Å; L247-L307 VanDerWaalsContact CD2-O 3.29Å; L247-L307 WeakPolarHBondContact CD2-O 3.47Å; L247-L309 HydrophobicContact CD2-CD2 3.45Å; L247-L309 VanDerWaalsContact CD2-CD2 3.45Å; L247-L309 HydrophobicContact CD2-CG 3.66Å
248	W	98.6	Very high	95.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-48	175.3	174.9	-89.1	0	0	0	110.2	L231 P232 P233 K244 V245 D246 I250 G251 V252 F264 I276 V279 L299	L231-W248 PolarHBondContact O-NE1 3.49Å; L231-W248 VanDerWaalsContact O-NE1 3.08Å; P232-W248 HydrophobicContact CB-CB 3.93Å; P232-W248 HydrophobicContact CB-CD2 4.12Å; P232-W248 HydrophobicContact CB-CG 3.64Å; P233-W248 HydrophobicContact CG-CE3 4.41Å; P233-W248 HydrophobicContact CG-CH2 3.79Å; P233-W248 HydrophobicContact CG-CZ2 4.27Å; P233-W248 HydrophobicContact CG-CZ3 3.87Å; K244-W248 PolarHBondContact O-N 2.87Å; V245-W248 WeakPolarHBondContact O-CB 3.46Å; V245-W248 PolarHBondContact O-N 2.9Å; V245-W248 VanDerWaalsContact O-N 3.12Å; D246-W248 PolarHBondContact O-N 2.92Å; W248-I250 VanDerWaalsContact C-N 3.32Å; W248-I250 PolarHBondContact O-N 3.29Å; W248-G251 WeakPolarHBondContact O-CA 3.49Å; W248-G251 PolarHBondContact O-N 2.83Å; W248-V252 WeakPolarHBondContact O-CG2 3.47Å; W248-V252 PolarHBondContact O-N 3.39Å; W248-F264 AromaticContact CH2-CE2 3.69Å; W248-F264 HydrophobicContact CH2-CE2 3.69Å; W248-F264 AromaticContact CH2-CZ 3.79Å; W248-F264 HydrophobicContact CH2-CZ 3.79Å; W248-F264 HydrophobicContact CZ2-CD2 4.02Å; W248-F264 AromaticContact CZ2-CE2 3.29Å; W248-F264 HydrophobicContact CZ2-CE2 3.29Å; W248-F264 AromaticContact CZ2-CZ 3.9Å; W248-F264 HydrophobicContact CZ2-CZ 3.9Å; W248-I276 HydrophobicContact CH2-CG2 4.29Å; W248-I276 HydrophobicContact CZ2-CG2 3.76Å; W248-V279 HydrophobicContact CH2-CG1 4.34Å; W248-V279 HydrophobicContact CH2-CG2 4.17Å; W248-V279 HydrophobicContact CZ3-CG1 4.45Å; W248-V279 HydrophobicContact CZ3-CG2 4.23Å; W248-L299 HydrophobicContact CD2-CD2 3.68Å; W248-L299 HydrophobicContact CE3-CB 4.44Å; W248-L299 HydrophobicContact CE3-CD2 3.7Å; W248-L299 HydrophobicContact CG-CD2 4.23Å; W248-L299 HydrophobicContact CH2-CD2 4.19Å; W248-L299 HydrophobicContact CZ2-CD2 4.17Å; W248-L299 HydrophobicContact CZ3-CB 4.11Å; W248-L299 HydrophobicContact CZ3-CD2 3.97Å; W248-L299 WeakPolarHBondContact O-CD2 3.37Å
249	S	97.7	Very high	96.1	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.028	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-34.5	178.4	-54	0	0	0	0	113.3	V245 D246 G251 V252 L253	V245-S249 PolarHBondContact O-N 3.2Å; V245-S249 VanDerWaalsContact O-N 3.11Å; V245-S249 PolarHBondContact O-OG 3.35Å; D246-S249 PolarHBondContact O-N 3.37Å; S249-G251 VanDerWaalsContact C-N 3.35Å; S249-V252 PolarHBondContact O-N 2.93Å; S249-L253 VanDerWaalsContact O-CB 3.28Å; S249-L253 WeakPolarHBondContact O-CB 3.43Å; S249-L253 PolarHBondContact O-N 3.19Å
250	I	97.9	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-43	169.4	-63.3	165.6	0	0	0	110.7	M172 L175 L179 D246 L247 W248 L253 C254 L298 L309	M172-I250 HydrophobicContact SD-CG2 3.62Å; L175-I250 HydrophobicContact CD2-CG1 3.95Å; L175-I250 HydrophobicContact CG-CG1 4.17Å; L179-I250 HydrophobicContact CD1-CD1 3.6Å; L179-I250 HydrophobicContact CD1-CG1 3.78Å; D246-I250 VanDerWaalsContact O-CG1 3.3Å; D246-I250 WeakPolarHBondContact O-CG1 3.4Å; D246-I250 PolarHBondContact O-N 2.75Å; L247-I250 HydrophobicContact CD2-CD1 4.46Å; L247-I250 PolarHBondContact O-N 2.69Å; W248-I250 VanDerWaalsContact C-N 3.32Å; W248-I250 PolarHBondContact O-N 3.29Å; I250-L253 PolarHBondContact O-N 3.23Å; I250-C254 VanDerWaalsContact O-CB 3.27Å; I250-C254 WeakPolarHBondContact O-CB 3.39Å; I250-C254 PolarHBondContact O-N 3.48Å; I250-L298 HydrophobicContact CB-CD1 4.39Å; I250-L298 HydrophobicContact CG2-CD1 3.84Å; I250-L309 HydrophobicContact CD1-CD2 3.31Å
251	G	98.8	Very high	96.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.8	-43.6	177.5	0	0	0	0	0	113	L247 W248 S249 Y255	L247-G251 PolarHBondContact O-N 2.68Å; L247-G251 VanDerWaalsContact O-N 3.14Å; W248-G251 WeakPolarHBondContact O-CA 3.49Å; W248-G251 PolarHBondContact O-N 2.83Å; S249-G251 VanDerWaalsContact C-N 3.35Å; G251-Y255 PolarHBondContact O-N 3.42Å
252	V	98.7	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-49.8	174.8	178.3	0	0	0	0	110.2	Y230 W248 S249 C254 Y255 E256 P263 F264 L299	Y230-V252 HydrophobicContact CD1-CB 3.87Å; Y230-V252 HydrophobicContact CD1-CG1 3.64Å; Y230-V252 HydrophobicContact CD2-CG1 3.92Å; Y230-V252 HydrophobicContact CE1-CB 3.77Å; Y230-V252 HydrophobicContact CE1-CG1 3.47Å; Y230-V252 VanDerWaalsContact CE1-CG1 3.47Å; Y230-V252 HydrophobicContact CE2-CG1 3.75Å; Y230-V252 HydrophobicContact CG-CB 4.48Å; Y230-V252 HydrophobicContact CG-CG1 3.86Å; W248-V252 WeakPolarHBondContact O-CG2 3.47Å; W248-V252 PolarHBondContact O-N 3.39Å; S249-V252 PolarHBondContact O-N 2.93Å; V252-C254 PolarHBondContact O-N 3.1Å; V252-Y255 PolarHBondContact O-N 2.84Å; V252-E256 PolarHBondContact O-N 3.43Å; V252-P263 HydrophobicContact CG1-CG 4.35Å; V252-F264 HydrophobicContact CG2-CE2 4.49Å; V252-L299 HydrophobicContact CG2-CD2 3.85Å
253	L	98.6	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.7	-40.8	179.5	-175.7	67.8	0	0	0	112.7	M153 M172 L175 I192 P194 L197 Y230 S249 I250 Y255 E256 C257	M153-L253 HydrophobicContact CE-CD1 3.93Å; M153-L253 HydrophobicContact CE-CD2 4.41Å; M153-L253 HydrophobicContact CE-CG 4.33Å; M172-L253 HydrophobicContact CE-CD2 4.04Å; M172-L253 HydrophobicContact CE-CG 4.14Å; L175-L253 HydrophobicContact CD2-CD2 3.4Å; L175-L253 VanDerWaalsContact CD2-CD2 3.4Å; I192-L253 HydrophobicContact CG2-CD2 4.26Å; P194-L253 HydrophobicContact CB-CD1 4.48Å; P194-L253 HydrophobicContact CG-CD1 3.6Å; L197-L253 HydrophobicContact CD1-CD1 4.34Å; L197-L253 HydrophobicContact CD1-CD2 3.52Å; Y230-L253 HydrophobicContact CE1-CB 4.11Å; Y230-L253 WeakPolarHBondContact OH-CA 3.26Å; S249-L253 VanDerWaalsContact O-CB 3.28Å; S249-L253 WeakPolarHBondContact O-CB 3.43Å; S249-L253 PolarHBondContact O-N 3.19Å; I250-L253 PolarHBondContact O-N 3.23Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 3.33Å; L253-E256 PolarHBondContact O-N 3.23Å; L253-C257 WeakPolarHBondContact O-CB 3.4Å; L253-C257 PolarHBondContact O-N 3.1Å; L253-C257 PolarHBondContact O-SG 3.24Å
254	C	98.8	Very high	97.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.5	-42.4	177.6	-171.5	0	0	0	0	111.3	M172 I250 V252 L258 V295	M172-C254 HydrophobicContact CE-CB 4.33Å; M172-C254 HydrophobicContact CG-CB 4.19Å; M172-C254 HydrophobicContact SD-CB 3.53Å; M172-C254 VanDerWaalsContact SD-CB 3.53Å; I250-C254 VanDerWaalsContact O-CB 3.27Å; I250-C254 WeakPolarHBondContact O-CB 3.39Å; I250-C254 PolarHBondContact O-N 3.48Å; V252-C254 PolarHBondContact O-N 3.1Å; C254-L258 WeakPolarHBondContact O-CD1 3.19Å; C254-L258 WeakPolarHBondContact O-CG 3.32Å; C254-L258 PolarHBondContact O-N 3.36Å; C254-V295 HydrophobicContact CB-CG2 3.91Å
255	Y	98.8	Very high	97.5	Very high	20 Å²	20	13.6 Å²	13.6	8%	0.078	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-50.1	174.3	-178.8	-77.7	0	0	0	111	G251 V252 L253 C257 L258 V259 N261 P263 L281 Q282 F283 V295	G251-Y255 PolarHBondContact O-N 3.42Å; V252-Y255 PolarHBondContact O-N 2.84Å; L253-Y255 VanDerWaalsContact C-N 3.32Å; L253-Y255 PolarHBondContact O-N 3.33Å; Y255-C257 VanDerWaalsContact C-N 3.29Å; Y255-C257 PolarHBondContact O-N 3.16Å; Y255-L258 PolarHBondContact O-N 3.44Å; Y255-V259 HydrophobicContact CD1-CB 4.07Å; Y255-V259 HydrophobicContact CD1-CG2 4.07Å; Y255-V259 HydrophobicContact CD2-CG2 4.35Å; Y255-V259 HydrophobicContact CE1-CB 3.66Å; Y255-V259 HydrophobicContact CE1-CG1 3.74Å; Y255-V259 HydrophobicContact CE1-CG2 3.72Å; Y255-V259 HydrophobicContact CE2-CG2 4.02Å; Y255-V259 HydrophobicContact CG-CG2 4.37Å; Y255-V259 WeakPolarHBondContact O-CB 3.28Å; Y255-V259 PolarHBondContact O-N 3.11Å; Y255-N261 WeakPolarHBondContact CD1-O 3.32Å; Y255-N261 WeakPolarHBondContact CE1-O 3.11Å; Y255-P263 HydrophobicContact CD1-CB 3.63Å; Y255-P263 VanDerWaalsContact CD1-CD 3.49Å; Y255-P263 HydrophobicContact CD1-CG 4Å; Y255-P263 HydrophobicContact CD2-CB 3.91Å; Y255-P263 HydrophobicContact CE1-CB 3.81Å; Y255-P263 HydrophobicContact CE2-CB 4.06Å; Y255-P263 HydrophobicContact CG-CB 3.69Å; Y255-P263 HydrophobicContact CG-CG 4.02Å; Y255-L281 HydrophobicContact CD2-CD1 3.91Å; Y255-L281 HydrophobicContact CE2-CD1 4.04Å; Y255-Q282 WeakPolarHBondContact CE2-O 3.18Å; Y255-Q282 PolarHBondContact OH-O 3.21Å; Y255-F283 HydrophobicContact CD2-CD1 4.02Å; Y255-F283 AromaticContact CD2-CE1 3.84Å; Y255-F283 HydrophobicContact CD2-CE1 3.84Å; Y255-F283 AromaticContact CE2-CD1 3.91Å; Y255-F283 HydrophobicContact CE2-CD1 3.91Å; Y255-F283 HydrophobicContact CE2-CE1 4.18Å; Y255-V295 HydrophobicContact CD2-CG1 4.49Å
256	E	98.4	Very high	97.3	Very high	10 Å²	10	15.7 Å²	15.7	5%	0.047	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-38.8	-178.4	-169.5	-175.6	148.8	0	0	111.6	L157 P194 Y230 V252 L253 L258 G260 P262	L157-E256 HydrophobicContact CD2-CG 4.04Å; P194-E256 WeakPolarHBondContact CG-OE1 3.35Å; Y230-E256 VanDerWaalsContact CE2-OE2 3.26Å; Y230-E256 WeakPolarHBondContact CE2-OE2 2.98Å; Y230-E256 VanDerWaalsContact CZ-OE2 3.28Å; Y230-E256 PolarHBondContact OH-OE2 3.04Å; V252-E256 PolarHBondContact O-N 3.43Å; L253-E256 PolarHBondContact O-N 3.23Å; E256-L258 VanDerWaalsContact C-N 3.32Å; E256-L258 PolarHBondContact O-N 2.95Å; E256-G260 VanDerWaalsContact O-CA 3.22Å; E256-G260 WeakPolarHBondContact O-CA 3.5Å; E256-G260 PolarHBondContact O-N 3.46Å; E256-P262 HydrophobicContact CG-CG 4.48Å
257	C	98.7	Very high	96.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58	-42.4	173.5	-71.1	0	0	0	0	112.5	M153 F163 T168 L253 Y255	M153-C257 WeakPolarHBondContact CE-SG 3.38Å; F163-C257 HydrophobicContact CD2-CB 4.04Å; F163-C257 PolarHBondContact N-O 3.02Å; T168-C257 HydrophobicContact CG2-CB 3.51Å; L253-C257 WeakPolarHBondContact O-CB 3.4Å; L253-C257 PolarHBondContact O-N 3.1Å; L253-C257 PolarHBondContact O-SG 3.24Å; Y255-C257 VanDerWaalsContact C-N 3.29Å; Y255-C257 PolarHBondContact O-N 3.16Å
258	L	98.7	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-83.9	-24.9	-173.6	-64.9	165.6	0	0	0	113.6	R162 T168 C254 Y255 E256 V287 A291 W317	R162-L258 WeakPolarHBondContact CD-O 3.41Å; R162-L258 PolarHBondContact NH1-O 3.01Å; T168-L258 HydrophobicContact CG2-CD1 4.39Å; T168-L258 HydrophobicContact CG2-CD2 4.12Å; T168-L258 HydrophobicContact CG2-CG 3.97Å; T168-L258 WeakPolarHBondContact OG1-CD2 3.42Å; C254-L258 WeakPolarHBondContact O-CD1 3.19Å; C254-L258 WeakPolarHBondContact O-CG 3.32Å; C254-L258 PolarHBondContact O-N 3.36Å; Y255-L258 PolarHBondContact O-N 3.44Å; E256-L258 VanDerWaalsContact C-N 3.32Å; E256-L258 PolarHBondContact O-N 2.95Å; L258-V287 HydrophobicContact CB-CG2 4.46Å; L258-V287 HydrophobicContact CD1-CG1 4.13Å; L258-A291 HydrophobicContact CD1-CB 3.59Å; L258-W317 HydrophobicContact CD1-CH2 4.23Å; L258-W317 HydrophobicContact CD1-CZ2 4.26Å; L258-W317 HydrophobicContact CD2-CH2 4.48Å; L258-W317 HydrophobicContact CD2-CZ2 4.24Å
259	V	98.2	Very high	96.1	Very high	33 Å²	33	29.2 Å²	29.2	20%	0.2	17%	0.173	C	C	.	.	H	α-helix	trans	-110.3	-27.2	-172.3	178	0	0	0	0	112.9	Y255 P284 V287	Y255-V259 HydrophobicContact CD1-CB 4.07Å; Y255-V259 HydrophobicContact CD1-CG2 4.07Å; Y255-V259 HydrophobicContact CD2-CG2 4.35Å; Y255-V259 HydrophobicContact CE1-CB 3.66Å; Y255-V259 HydrophobicContact CE1-CG1 3.74Å; Y255-V259 HydrophobicContact CE1-CG2 3.72Å; Y255-V259 HydrophobicContact CE2-CG2 4.02Å; Y255-V259 HydrophobicContact CG-CG2 4.37Å; Y255-V259 WeakPolarHBondContact O-CB 3.28Å; Y255-V259 PolarHBondContact O-N 3.11Å; V259-P284 HydrophobicContact CG1-CG 4Å; V259-P284 HydrophobicContact CG2-CG 4.09Å; V259-V287 HydrophobicContact CG2-CG2 3.59Å
260	G	96.5	Very high	95.8	Very high	6 Å²	6	32.2 Å²	32.2	6%	0.062	19%	0.194	C	C	.	.	S	Bend	trans	95	-11.4	-178.9	0	0	0	0	0	115.5	G161 E256	G161-G260 WeakPolarHBondContact O-CA 3.39Å; E256-G260 VanDerWaalsContact O-CA 3.22Å; E256-G260 WeakPolarHBondContact O-CA 3.5Å; E256-G260 PolarHBondContact O-N 3.46Å
261	N	94.9	Very high	95.6	Very high	89 Å²	89	35.4 Å²	35.4	48%	0.476	21%	0.211	S	C	.	.	S	Bend	trans	-143.2	155	179.5	-53.5	-85.2	0	0	0	109.9	Y255	Y255-N261 WeakPolarHBondContact CD1-O 3.32Å; Y255-N261 WeakPolarHBondContact CE1-O 3.11Å
262	P	96.5	Very high	95.3	Very high	21 Å²	21	35.4 Å²	35.4	14%	0.136	21%	0.211	C	C	.	.			trans	-61.1	151	-179.8	-21.7	32	0	0	0	113.6	D229 E256 F264 E265	D229-P262 HydrophobicContact CB-CB 3.76Å; D229-P262 HydrophobicContact CB-CG 3.95Å; E256-P262 HydrophobicContact CG-CG 4.48Å; P262-F264 VanDerWaalsContact C-N 3.31Å; P262-F264 PolarHBondContact O-N 2.95Å; P262-E265 HydrophobicContact CB-CB 4.23Å; P262-E265 HydrophobicContact CG-CB 4.44Å
263	P	97.6	Very high	95.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.013	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.1	-176.2	21.7	-29.6	0	0	0	114.5	V252 Y255 R275 L281 L299	V252-P263 HydrophobicContact CG1-CG 4.35Å; Y255-P263 HydrophobicContact CD1-CB 3.63Å; Y255-P263 VanDerWaalsContact CD1-CD 3.49Å; Y255-P263 HydrophobicContact CD1-CG 4Å; Y255-P263 HydrophobicContact CD2-CB 3.91Å; Y255-P263 HydrophobicContact CE1-CB 3.81Å; Y255-P263 HydrophobicContact CE2-CB 4.06Å; Y255-P263 HydrophobicContact CG-CB 3.69Å; Y255-P263 HydrophobicContact CG-CG 4.02Å; P263-R275 PolarHBondContact O-NH1 3.14Å; P263-R275 VanDerWaalsContact O-NH1 3.09Å; P263-R275 PolarHBondContact O-NH2 3.39Å; P263-L281 HydrophobicContact CB-CD1 3.58Å; P263-L281 HydrophobicContact CG-CD1 4.49Å; P263-L299 HydrophobicContact CG-CD1 4.16Å
264	F	97.3	Very high	94.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-0.5	-172.2	-51	-62.5	0	0	0	114	W248 V252 P262 T272 R275 I276 V279 L281 L299	W248-F264 AromaticContact CH2-CE2 3.69Å; W248-F264 HydrophobicContact CH2-CE2 3.69Å; W248-F264 AromaticContact CH2-CZ 3.79Å; W248-F264 HydrophobicContact CH2-CZ 3.79Å; W248-F264 HydrophobicContact CZ2-CD2 4.02Å; W248-F264 AromaticContact CZ2-CE2 3.29Å; W248-F264 HydrophobicContact CZ2-CE2 3.29Å; W248-F264 AromaticContact CZ2-CZ 3.9Å; W248-F264 HydrophobicContact CZ2-CZ 3.9Å; V252-F264 HydrophobicContact CG2-CE2 4.49Å; P262-F264 VanDerWaalsContact C-N 3.31Å; P262-F264 PolarHBondContact O-N 2.95Å; F264-T272 HydrophobicContact CB-CG2 4.35Å; F264-T272 WeakPolarHBondContact O-CG2 3.3Å; F264-T272 PolarHBondContact O-OG1 2.91Å; F264-R275 VanDerWaalsContact C-NH1 3.35Å; F264-R275 HydrophobicContact CB-CB 4.25Å; F264-R275 HydrophobicContact CD1-CB 4.15Å; F264-R275 PolarHBondContact O-NH1 2.61Å; F264-I276 HydrophobicContact CB-CD1 4.41Å; F264-I276 HydrophobicContact CB-CG1 3.62Å; F264-I276 HydrophobicContact CD2-CG1 3.66Å; F264-I276 HydrophobicContact CG-CG1 3.68Å; F264-V279 HydrophobicContact CZ-CG1 4.31Å; F264-L281 HydrophobicContact CE1-CB 4.34Å; F264-L299 HydrophobicContact CE2-CD1 4.12Å; F264-L299 HydrophobicContact CE2-CD2 4.5Å; F264-L299 HydrophobicContact CZ-CD1 4Å
265	E	91.9	Very high	94.9	Very high	93 Å²	93	46 Å²	46	44%	0.435	25%	0.254	S	S	.	.			trans	-56.1	139	-178.7	-173.7	179.2	-146.9	0	0	111.1	D229 P262 R275	D229-E265 WeakPolarHBondContact OD1-CA 3.49Å; P262-E265 HydrophobicContact CB-CB 4.23Å; P262-E265 HydrophobicContact CG-CB 4.44Å; E265-R275 PolarHBondContact O-NH1 2.96Å
266	T	91.8	Very high	94.8	Very high	47 Å²	47	45 Å²	45	29%	0.288	25%	0.25	S	S	.	.			trans	-151.9	166.2	173.5	70.3	0	0	0	0	109.2	S268 T272	T266-S268 PolarHBondContact O-N 3.35Å; T266-S268 PolarHBondContact OG1-N 3.47Å; T266-S268 PolarHBondContact OG1-O 3.37Å; T266-T272 PolarHBondContact N-OG1 2.79Å; T266-T272 PolarHBondContact OG1-N 2.91Å; T266-T272 PolarHBondContact OG1-OG1 2.91Å
267	A	88.4	Confident	94.7	Very high	119 Å²	119	46.4 Å²	46.4	98%	0.983	26%	0.259	S	S	*	.	S	Bend	trans	-66.8	-3.2	175	0	0	0	0	0	114.8
268	S	91.2	Very high	94.6	Very high	40 Å²	40	54.4 Å²	54.4	28%	0.28	29%	0.294	S	S	.	.			trans	-135.2	116.3	-171.7	163.3	0	0	0	0	110.5	T266 S270 D271 T272	T266-S268 PolarHBondContact O-N 3.35Å; T266-S268 PolarHBondContact OG1-N 3.47Å; T266-S268 PolarHBondContact OG1-O 3.37Å; S268-S270 PolarHBondContact O-N 3.48Å; S268-S270 VanDerWaalsContact O-N 3.09Å; S268-D271 WeakPolarHBondContact CB-OD2 3.47Å; S268-D271 PolarHBondContact O-N 3.12Å; S268-D271 PolarHBondContact OG-N 3.11Å; S268-D271 PolarHBondContact OG-OD2 3.16Å; S268-T272 PolarHBondContact O-N 2.8Å; S268-T272 PolarHBondContact O-OG1 2.8Å
269	H	88.4	Confident	94.6	Very high	128 Å²	128	55.9 Å²	55.9	59%	0.593	30%	0.303	S	S	*	.	H	α-helix	trans	-53.5	-35	177.5	-65.9	176.7	0	0	0	112.7	L228 D271 Y273	L228-H269 HydrophobicContact CD1-CB 3.87Å; H269-D271 VanDerWaalsContact C-N 3.33Å; H269-D271 PolarHBondContact O-N 3.33Å; H269-Y273 WeakPolarHBondContact O-CB 3.45Å; H269-Y273 WeakPolarHBondContact O-CD2 3.4Å; H269-Y273 PolarHBondContact O-N 2.83Å
270	S	90.8	Very high	94.5	Very high	67 Å²	67	57 Å²	57	47%	0.469	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-38.1	176.6	-173.7	0	0	0	0	112	S268 K274	S268-S270 PolarHBondContact O-N 3.48Å; S268-S270 VanDerWaalsContact O-N 3.09Å; S270-K274 WeakPolarHBondContact O-CE 3.43Å; S270-K274 VanDerWaalsContact O-CG 3.29Å; S270-K274 WeakPolarHBondContact O-CG 3.08Å; S270-K274 PolarHBondContact O-N 3.08Å; S270-K274 VanDerWaalsContact O-N 3.13Å; S270-K274 WeakPolarHBondContact OG-CE 3.5Å; S270-K274 PolarHBondContact OG-NZ 2.73Å
271	D	93.8	Very high	94.6	Very high	68 Å²	68	58.2 Å²	58.2	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-81.2	-36.5	-178.6	-61.2	-57.4	0	0	0	111.6	S268 H269 Y273 K274 R275	S268-D271 WeakPolarHBondContact CB-OD2 3.47Å; S268-D271 PolarHBondContact O-N 3.12Å; S268-D271 PolarHBondContact OG-N 3.11Å; S268-D271 PolarHBondContact OG-OD2 3.16Å; H269-D271 VanDerWaalsContact C-N 3.33Å; H269-D271 PolarHBondContact O-N 3.33Å; D271-Y273 VanDerWaalsContact C-N 3.33Å; D271-Y273 PolarHBondContact O-N 3.39Å; D271-K274 WeakPolarHBondContact O-CB 3.26Å; D271-K274 PolarHBondContact O-N 3.46Å; D271-K274 VanDerWaalsContact O-N 3.13Å; D271-K274 WeakPolarHBondContact OD1-CD 3.45Å; D271-K274 IonicContact OD1-NZ 3.18Å; D271-K274 PolarHBondContact OD1-NZ 2.93Å; D271-R275 WeakPolarHBondContact O-CG 3.49Å; D271-R275 PolarHBondContact O-N 3.33Å
272	T	93.8	Very high	94.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56	-46	166.8	-59.8	0	0	0	0	111.3	L228 F264 T266 S268 K274 R275 I276	L228-T272 HydrophobicContact CD2-CG2 3.56Å; L228-T272 HydrophobicContact CG-CG2 4.44Å; F264-T272 HydrophobicContact CB-CG2 4.35Å; F264-T272 WeakPolarHBondContact O-CG2 3.3Å; F264-T272 PolarHBondContact O-OG1 2.91Å; T266-T272 PolarHBondContact N-OG1 2.79Å; T266-T272 PolarHBondContact OG1-N 2.91Å; T266-T272 PolarHBondContact OG1-OG1 2.91Å; S268-T272 PolarHBondContact O-N 2.8Å; S268-T272 PolarHBondContact O-OG1 2.8Å; T272-K274 PolarHBondContact O-N 3.2Å; T272-R275 PolarHBondContact O-N 3.43Å; T272-I276 HydrophobicContact CG2-CD1 3.77Å; T272-I276 HydrophobicContact CG2-CG1 4.37Å; T272-I276 WeakPolarHBondContact O-CG1 3.28Å; T272-I276 PolarHBondContact O-N 3.02Å
273	Y	93.4	Very high	94.7	Very high	79 Å²	79	61 Å²	61	31%	0.31	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-38.9	175	-68.3	-15.3	0	0	0	113.1	L228 L231 I236 H269 D271 T277	L228-Y273 HydrophobicContact CD1-CD1 4.39Å; L228-Y273 HydrophobicContact CD1-CE1 3.48Å; L228-Y273 VanDerWaalsContact CD1-CE1 3.48Å; L228-Y273 HydrophobicContact CG-CE1 3.88Å; L231-Y273 HydrophobicContact CD1-CE1 4.22Å; I236-Y273 HydrophobicContact CD1-CD1 3.69Å; I236-Y273 HydrophobicContact CD1-CE1 4.31Å; I236-Y273 HydrophobicContact CD1-CG 4.32Å; I236-Y273 HydrophobicContact CG1-CD1 4.15Å; I236-Y273 HydrophobicContact CG1-CE1 4.4Å; I236-Y273 HydrophobicContact CG2-CD1 4.33Å; I236-Y273 HydrophobicContact CG2-CD2 4.45Å; I236-Y273 HydrophobicContact CG2-CG 4.05Å; H269-Y273 WeakPolarHBondContact O-CB 3.45Å; H269-Y273 WeakPolarHBondContact O-CD2 3.4Å; H269-Y273 PolarHBondContact O-N 2.83Å; D271-Y273 VanDerWaalsContact C-N 3.33Å; D271-Y273 PolarHBondContact O-N 3.39Å; Y273-T277 WeakPolarHBondContact O-CB 3.3Å; Y273-T277 WeakPolarHBondContact O-CG2 3.43Å; Y273-T277 PolarHBondContact O-N 3.03Å; Y273-T277 PolarHBondContact O-OG1 3.22Å
274	K	95.7	Very high	94.7	Very high	95 Å²	95	63.3 Å²	63.3	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-39.3	174.2	-69.5	164.8	-151.3	161.5	0	111.6	S270 D271 T272 T277 K278	S270-K274 WeakPolarHBondContact O-CE 3.43Å; S270-K274 VanDerWaalsContact O-CG 3.29Å; S270-K274 WeakPolarHBondContact O-CG 3.08Å; S270-K274 PolarHBondContact O-N 3.08Å; S270-K274 VanDerWaalsContact O-N 3.13Å; S270-K274 WeakPolarHBondContact OG-CE 3.5Å; S270-K274 PolarHBondContact OG-NZ 2.73Å; D271-K274 WeakPolarHBondContact O-CB 3.26Å; D271-K274 PolarHBondContact O-N 3.46Å; D271-K274 VanDerWaalsContact O-N 3.13Å; D271-K274 WeakPolarHBondContact OD1-CD 3.45Å; D271-K274 IonicContact OD1-NZ 3.18Å; D271-K274 PolarHBondContact OD1-NZ 2.93Å; T272-K274 PolarHBondContact O-N 3.2Å; K274-T277 PolarHBondContact O-OG1 2.86Å; K274-K278 WeakPolarHBondContact O-CB 3.02Å; K274-K278 VanDerWaalsContact O-CG 3.28Å; K274-K278 WeakPolarHBondContact O-CG 3.44Å; K274-K278 PolarHBondContact O-N 3.19Å
275	R	97.6	Very high	94.6	Very high	48 Å²	48	73.2 Å²	73.2	18%	0.181	38%	0.379	C	S	.	.	H	α-helix	trans	-69.6	-42.4	178.5	-69.5	-173.1	72.5	-134.4	-15.3	111.7	P263 F264 E265 D271 T272 V279 D280	P263-R275 PolarHBondContact O-NH1 3.14Å; P263-R275 VanDerWaalsContact O-NH1 3.09Å; P263-R275 PolarHBondContact O-NH2 3.39Å; F264-R275 VanDerWaalsContact C-NH1 3.35Å; F264-R275 HydrophobicContact CB-CB 4.25Å; F264-R275 HydrophobicContact CD1-CB 4.15Å; F264-R275 PolarHBondContact O-NH1 2.61Å; E265-R275 PolarHBondContact O-NH1 2.96Å; D271-R275 WeakPolarHBondContact O-CG 3.49Å; D271-R275 PolarHBondContact O-N 3.33Å; T272-R275 PolarHBondContact O-N 3.43Å; R275-V279 WeakPolarHBondContact O-CA 3.22Å; R275-V279 PolarHBondContact O-N 3.02Å; R275-D280 HydrophobicContact CB-CB 4.17Å; R275-D280 HydrophobicContact CG-CB 4.22Å; R275-D280 IonicContact CZ-OD2 3.72Å; R275-D280 IonicContact NE-OD2 2.68Å; R275-D280 PolarHBondContact NE-OD2 3.29Å; R275-D280 PolarHBondContact NH2-O 3.13Å; R275-D280 IonicContact NH2-OD2 2.81Å; R275-D280 PolarHBondContact O-N 3.23Å
276	I	97.3	Very high	94.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-52.4	173.8	-68	166.3	0	0	0	111	L231 P233 I236 W248 F264 T272 K278 V279	L231-I276 WeakPolarHBondContact O-CG2 3.38Å; P233-I276 HydrophobicContact CG-CG2 3.92Å; I236-I276 HydrophobicContact CD1-CB 3.74Å; I236-I276 HydrophobicContact CD1-CD1 3.69Å; I236-I276 HydrophobicContact CD1-CG1 4.31Å; I236-I276 HydrophobicContact CD1-CG2 3.44Å; I236-I276 VanDerWaalsContact CD1-CG2 3.44Å; W248-I276 HydrophobicContact CH2-CG2 4.29Å; W248-I276 HydrophobicContact CZ2-CG2 3.76Å; F264-I276 HydrophobicContact CB-CD1 4.41Å; F264-I276 HydrophobicContact CB-CG1 3.62Å; F264-I276 HydrophobicContact CD2-CG1 3.66Å; F264-I276 HydrophobicContact CG-CG1 3.68Å; T272-I276 HydrophobicContact CG2-CD1 3.77Å; T272-I276 HydrophobicContact CG2-CG1 4.37Å; T272-I276 WeakPolarHBondContact O-CG1 3.28Å; T272-I276 PolarHBondContact O-N 3.02Å; I276-K278 VanDerWaalsContact C-N 3.3Å; I276-K278 PolarHBondContact O-N 3.43Å; I276-V279 PolarHBondContact O-N 3.45Å
277	T	95.9	Very high	95	Very high	39 Å²	39	70.3 Å²	70.3	24%	0.239	37%	0.367	C	S	.	.	H	α-helix	trans	-67.1	-27.3	-176.5	50.7	0	0	0	0	113.6	I236 E237 Y273 K274 H301	I236-T277 HydrophobicContact CB-CG2 4.23Å; I236-T277 HydrophobicContact CG2-CG2 3.84Å; E237-T277 HydrophobicContact CG-CG2 4Å; Y273-T277 WeakPolarHBondContact O-CB 3.3Å; Y273-T277 WeakPolarHBondContact O-CG2 3.43Å; Y273-T277 PolarHBondContact O-N 3.03Å; Y273-T277 PolarHBondContact O-OG1 3.22Å; K274-T277 PolarHBondContact O-OG1 2.86Å; T277-H301 PolarHBondContact O-CD2 2.92Å
278	K	97.4	Very high	95.5	Very high	168 Å²	168	66.5 Å²	66.5	73%	0.73	33%	0.333	S	S	*	.	H	α-helix	trans	-86.1	-11.7	170.4	-67.3	-179.6	179.7	-176	0	114.1	K274 I276 D280	K274-K278 WeakPolarHBondContact O-CB 3.02Å; K274-K278 VanDerWaalsContact O-CG 3.28Å; K274-K278 WeakPolarHBondContact O-CG 3.44Å; K274-K278 PolarHBondContact O-N 3.19Å; I276-K278 VanDerWaalsContact C-N 3.3Å; I276-K278 PolarHBondContact O-N 3.43Å; K278-D280 VanDerWaalsContact C-N 3.29Å; K278-D280 PolarHBondContact O-N 3.38Å
279	V	97.6	Very high	95.8	Very high	32 Å²	32	70.1 Å²	70.1	19%	0.194	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	49.9	-167.1	-162.9	0	0	0	0	110.9	W248 F264 R275 I276 L281 L299 H301	W248-V279 HydrophobicContact CH2-CG1 4.34Å; W248-V279 HydrophobicContact CH2-CG2 4.17Å; W248-V279 HydrophobicContact CZ3-CG1 4.45Å; W248-V279 HydrophobicContact CZ3-CG2 4.23Å; F264-V279 HydrophobicContact CZ-CG1 4.31Å; R275-V279 WeakPolarHBondContact O-CA 3.22Å; R275-V279 PolarHBondContact O-N 3.02Å; I276-V279 PolarHBondContact O-N 3.45Å; V279-L281 PolarHBondContact O-N 3.17Å; V279-L299 HydrophobicContact CG1-CB 4.37Å; V279-L299 WeakPolarHBondContact CG1-O 3.36Å; V279-H301 HydrophobicContact CG2-CB 3.78Å
280	D	97.7	Very high	96.3	Very high	57 Å²	57	65.4 Å²	65.4	31%	0.305	34%	0.335	S	S	.	.			trans	-74.1	75.3	176.2	173.1	40.1	0	0	0	110.6	R275 K278 Q282	R275-D280 HydrophobicContact CB-CB 4.17Å; R275-D280 HydrophobicContact CG-CB 4.22Å; R275-D280 IonicContact CZ-OD2 3.72Å; R275-D280 IonicContact NE-OD2 2.68Å; R275-D280 PolarHBondContact NE-OD2 3.29Å; R275-D280 PolarHBondContact NH2-O 3.13Å; R275-D280 IonicContact NH2-OD2 2.81Å; R275-D280 PolarHBondContact O-N 3.23Å; K278-D280 VanDerWaalsContact C-N 3.29Å; K278-D280 PolarHBondContact O-N 3.38Å; D280-Q282 PolarHBondContact OD1-NE2 2.97Å
281	L	97.1	Very high	96.7	Very high	31 Å²	31	62.2 Å²	62.2	16%	0.162	31%	0.313	C	S	.	.			trans	-95.2	118.3	-176	-177.9	62.8	0	0	0	110.2	Y255 P263 F264 V279 F283 V295 L299	Y255-L281 HydrophobicContact CD2-CD1 3.91Å; Y255-L281 HydrophobicContact CE2-CD1 4.04Å; P263-L281 HydrophobicContact CB-CD1 3.58Å; P263-L281 HydrophobicContact CG-CD1 4.49Å; F264-L281 HydrophobicContact CE1-CB 4.34Å; V279-L281 PolarHBondContact O-N 3.17Å; L281-F283 HydrophobicContact CD1-CZ 4.31Å; L281-F283 HydrophobicContact CD2-CE2 3.65Å; L281-F283 HydrophobicContact CD2-CZ 3.57Å; L281-F283 HydrophobicContact CG-CD2 4.41Å; L281-F283 HydrophobicContact CG-CE2 3.79Å; L281-F283 HydrophobicContact CG-CZ 3.9Å; L281-V295 HydrophobicContact CD1-CG1 4.48Å; L281-V295 HydrophobicContact CD2-CG1 4.08Å; L281-L299 HydrophobicContact CD1-CD1 3.89Å; L281-L299 HydrophobicContact CD2-CB 4.33Å; L281-L299 HydrophobicContact CD2-CD1 4.05Å
282	Q	97.4	Very high	96.9	Very high	117 Å²	117	62.2 Å²	62.2	55%	0.547	31%	0.308	S	S	.	.			trans	-118.5	128.6	-179.2	-58	-60.6	-26.2	0	0	109.1	Y255 D280	Y255-Q282 WeakPolarHBondContact CE2-O 3.18Å; Y255-Q282 PolarHBondContact OH-O 3.21Å; D280-Q282 PolarHBondContact OD1-NE2 2.97Å
283	F	97.8	Very high	97.2	Very high	50 Å²	50	65.2 Å²	65.2	22%	0.219	32%	0.324	C	S	.	.			trans	-105.7	123	-178	-71.1	-77.4	0	0	0	112.2	Y255 L281 V287 R292 V295 S296	Y255-F283 HydrophobicContact CD2-CD1 4.02Å; Y255-F283 AromaticContact CD2-CE1 3.84Å; Y255-F283 HydrophobicContact CD2-CE1 3.84Å; Y255-F283 AromaticContact CE2-CD1 3.91Å; Y255-F283 HydrophobicContact CE2-CD1 3.91Å; Y255-F283 HydrophobicContact CE2-CE1 4.18Å; L281-F283 HydrophobicContact CD1-CZ 4.31Å; L281-F283 HydrophobicContact CD2-CE2 3.65Å; L281-F283 HydrophobicContact CD2-CZ 3.57Å; L281-F283 HydrophobicContact CG-CD2 4.41Å; L281-F283 HydrophobicContact CG-CE2 3.79Å; L281-F283 HydrophobicContact CG-CZ 3.9Å; F283-V287 HydrophobicContact CD1-CB 4.26Å; F283-V287 HydrophobicContact CD1-CG1 4Å; F283-V287 HydrophobicContact CD1-CG2 4.39Å; F283-V287 HydrophobicContact CE1-CG1 4.36Å; F283-R292 HydrophobicContact CB-CG 4.18Å; F283-R292 HydrophobicContact CD1-CB 4.49Å; F283-R292 HydrophobicContact CD1-CG 3.8Å; F283-R292 HydrophobicContact CD2-CB 4.34Å; F283-R292 HydrophobicContact CD2-CG 4.06Å; F283-R292 HydrophobicContact CE1-CB 4.32Å; F283-R292 HydrophobicContact CE1-CG 4.09Å; F283-R292 HydrophobicContact CE2-CB 4.17Å; F283-R292 HydrophobicContact CE2-CG 4.33Å; F283-R292 HydrophobicContact CG-CB 4.48Å; F283-R292 HydrophobicContact CG-CG 3.76Å; F283-R292 HydrophobicContact CZ-CB 4.14Å; F283-R292 HydrophobicContact CZ-CG 4.33Å; F283-V295 HydrophobicContact CE1-CB 3.98Å; F283-V295 HydrophobicContact CE1-CG1 3.9Å; F283-V295 HydrophobicContact CE1-CG2 4.48Å; F283-V295 HydrophobicContact CZ-CB 3.86Å; F283-V295 HydrophobicContact CZ-CG1 3.77Å; F283-S296 WeakPolarHBondContact CE2-OG 3.48Å
284	P	97	Very high	97.4	Very high	51 Å²	51	61.5 Å²	61.5	33%	0.331	31%	0.309	S	S	.	.			trans	-58.2	154.5	166.8	-23.5	34.1	0	0	0	111.8	V259 V286 V287 R292	V259-P284 HydrophobicContact CG1-CG 4Å; V259-P284 HydrophobicContact CG2-CG 4.09Å; P284-V286 HydrophobicContact CB-CG1 4.26Å; P284-V286 PolarHBondContact O-N 2.89Å; P284-V287 PolarHBondContact O-N 3.46Å; P284-R292 PolarHBondContact O-NH2 3.25Å
285	K	95.4	Very high	97.6	Very high	209 Å²	209	57 Å²	57	91%	0.909	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.7	177.5	-68.3	-173.7	179.1	-178.4	0	114.1
286	V	94.1	Very high	97.6	Very high	74 Å²	74	56.8 Å²	56.8	45%	0.448	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.5	-176.4	84.9	0	0	0	0	114	P284	P284-V286 HydrophobicContact CB-CG1 4.26Å; P284-V286 PolarHBondContact O-N 2.89Å
287	V	98.1	Very high	97.7	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.024	31%	0.312	C	S	.	.	S	Bend	trans	-86.3	121.1	177.7	-173.2	0	0	0	0	108.6	L258 V259 F283 P284 A291 R292	L258-V287 HydrophobicContact CB-CG2 4.46Å; L258-V287 HydrophobicContact CD1-CG1 4.13Å; V259-V287 HydrophobicContact CG2-CG2 3.59Å; F283-V287 HydrophobicContact CD1-CB 4.26Å; F283-V287 HydrophobicContact CD1-CG1 4Å; F283-V287 HydrophobicContact CD1-CG2 4.39Å; F283-V287 HydrophobicContact CE1-CG1 4.36Å; P284-V287 PolarHBondContact O-N 3.46Å; V287-A291 HydrophobicContact CG1-CB 3.84Å; V287-R292 HydrophobicContact CB-CG 4.26Å; V287-R292 HydrophobicContact CG1-CG 3.84Å; V287-R292 PolarHBondContact O-NE 3.08Å
288	S	98.1	Very high	97.8	Very high	39 Å²	39	58.6 Å²	58.6	27%	0.273	30%	0.3	S	S	.	.			trans	-66.9	152.4	-178.5	67.7	0	0	0	0	112.6	D165 G290 A291 R292 W317	D165-S288 WeakPolarHBondContact OD2-CB 3.38Å; D165-S288 PolarHBondContact OD2-OG 3.46Å; S288-G290 VanDerWaalsContact C-N 3.27Å; S288-G290 PolarHBondContact O-N 2.66Å; S288-A291 WeakPolarHBondContact O-CB 3.42Å; S288-A291 PolarHBondContact O-N 2.92Å; S288-R292 WeakPolarHBondContact O-CG 3.32Å; S288-R292 PolarHBondContact O-N 3.36Å; S288-W317 PolarHBondContact OG-NE1 3.3Å
289	D	98.4	Very high	97.9	Very high	117 Å²	117	50.8 Å²	50.8	63%	0.626	27%	0.267	S	S	*	.	H	α-helix	trans	-62.3	-33.1	-175.4	-64.1	-41.7	0	0	0	113.2	A291 R292 D293	D289-A291 VanDerWaalsContact C-N 3.34Å; D289-A291 PolarHBondContact O-N 2.83Å; D289-R292 PolarHBondContact O-N 2.98Å; D289-R292 IonicContact OD1-CZ 3.92Å; D289-R292 IonicContact OD1-NE 3.7Å; D289-R292 IonicContact OD1-NH1 2.63Å; D289-R292 PolarHBondContact OD1-NH1 2.88Å; D289-D293 WeakPolarHBondContact O-CB 3.26Å; D289-D293 PolarHBondContact O-N 2.76Å
290	G	98.5	Very high	98	Very high	29 Å²	29	55 Å²	55	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-33	173.1	0	0	0	0	0	113.9	S288 L294 W317	S288-G290 VanDerWaalsContact C-N 3.27Å; S288-G290 PolarHBondContact O-N 2.66Å; G290-L294 PolarHBondContact O-N 3.28Å; G290-W317 VanDerWaalsContact C-CG 3.45Å; G290-W317 WeakPolarHBondContact O-CB 3.28Å
291	A	98.6	Very high	98	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-74.4	-42.4	172.9	0	0	0	0	0	111.5	L258 V287 S288 D289 D293 L294 V295 W317	L258-A291 HydrophobicContact CD1-CB 3.59Å; V287-A291 HydrophobicContact CG1-CB 3.84Å; S288-A291 WeakPolarHBondContact O-CB 3.42Å; S288-A291 PolarHBondContact O-N 2.92Å; D289-A291 VanDerWaalsContact C-N 3.34Å; D289-A291 PolarHBondContact O-N 2.83Å; A291-D293 VanDerWaalsContact C-N 3.28Å; A291-D293 PolarHBondContact O-N 3.26Å; A291-L294 PolarHBondContact O-N 2.71Å; A291-V295 WeakPolarHBondContact O-CG2 3.49Å; A291-V295 PolarHBondContact O-N 3.42Å; A291-W317 HydrophobicContact CB-CD2 4.15Å; A291-W317 HydrophobicContact CB-CH2 4.28Å; A291-W317 HydrophobicContact CB-CZ2 3.67Å
292	R	98.8	Very high	98	Very high	67 Å²	67	56.4 Å²	56.4	25%	0.253	29%	0.288	S	S	.	.	H	α-helix	trans	-56.8	-43.8	175	-66.2	173.8	178.5	-165.2	-16.8	111.4	F283 P284 V287 S288 D289 S296	F283-R292 HydrophobicContact CB-CG 4.18Å; F283-R292 HydrophobicContact CD1-CB 4.49Å; F283-R292 HydrophobicContact CD1-CG 3.8Å; F283-R292 HydrophobicContact CD2-CB 4.34Å; F283-R292 HydrophobicContact CD2-CG 4.06Å; F283-R292 HydrophobicContact CE1-CB 4.32Å; F283-R292 HydrophobicContact CE1-CG 4.09Å; F283-R292 HydrophobicContact CE2-CB 4.17Å; F283-R292 HydrophobicContact CE2-CG 4.33Å; F283-R292 HydrophobicContact CG-CB 4.48Å; F283-R292 HydrophobicContact CG-CG 3.76Å; F283-R292 HydrophobicContact CZ-CB 4.14Å; F283-R292 HydrophobicContact CZ-CG 4.33Å; P284-R292 PolarHBondContact O-NH2 3.25Å; V287-R292 HydrophobicContact CB-CG 4.26Å; V287-R292 HydrophobicContact CG1-CG 3.84Å; V287-R292 PolarHBondContact O-NE 3.08Å; S288-R292 WeakPolarHBondContact O-CG 3.32Å; S288-R292 PolarHBondContact O-N 3.36Å; D289-R292 PolarHBondContact O-N 2.98Å; D289-R292 IonicContact OD1-CZ 3.92Å; D289-R292 IonicContact OD1-NE 3.7Å; D289-R292 IonicContact OD1-NH1 2.63Å; D289-R292 PolarHBondContact OD1-NH1 2.88Å; R292-S296 WeakPolarHBondContact O-CB 3.07Å; R292-S296 PolarHBondContact O-N 2.52Å; R292-S296 PolarHBondContact O-OG 2.83Å
293	D	98.8	Very high	98	Very high	64 Å²	64	52.3 Å²	52.3	34%	0.342	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-48.4	176.4	-179.8	45.5	0	0	0	111.9	D289 A291 S296 K297 H315	D289-D293 WeakPolarHBondContact O-CB 3.26Å; D289-D293 PolarHBondContact O-N 2.76Å; A291-D293 VanDerWaalsContact C-N 3.28Å; A291-D293 PolarHBondContact O-N 3.26Å; D293-S296 PolarHBondContact O-N 2.97Å; D293-K297 WeakPolarHBondContact O-CB 3.42Å; D293-K297 WeakPolarHBondContact O-CD 3.36Å; D293-K297 VanDerWaalsContact O-CG 3.26Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; D293-K297 PolarHBondContact O-N 3.26Å; D293-K297 WeakPolarHBondContact OD1-CE 3.48Å; D293-K297 IonicContact OD1-NZ 2.76Å; D293-K297 PolarHBondContact OD1-NZ 3.23Å; D293-K297 IonicContact OD2-NZ 3.68Å; D293-K297 PolarHBondContact OD2-NZ 3.09Å; D293-H315 IonicContact OD2-CE1 2.91Å; D293-H315 PolarHBondContact OD2-CE1 3.42Å; D293-H315 IonicContact OD2-NE2 3.22Å; D293-H315 PolarHBondContact OD2-NE2 2.88Å; D293-H315 VanDerWaalsContact OD2-NE2 3.13Å
294	L	98.9	Very high	98	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-52	175.6	176.5	59.9	0	0	0	112.2	G290 A291 S296 K297 L298 L307 V312 H315 W317 V318	G290-L294 PolarHBondContact O-N 3.28Å; A291-L294 PolarHBondContact O-N 2.71Å; L294-S296 VanDerWaalsContact C-N 3.33Å; L294-S296 PolarHBondContact O-N 3.17Å; L294-K297 PolarHBondContact O-N 3.5Å; L294-L298 HydrophobicContact CD1-CD1 3.89Å; L294-L298 HydrophobicContact CD1-CG 4.37Å; L294-L298 HydrophobicContact CG-CD1 4.08Å; L294-L298 PolarHBondContact O-N 2.82Å; L294-L298 VanDerWaalsContact O-N 3.1Å; L294-L307 HydrophobicContact CD1-CD2 3.66Å; L294-V312 HydrophobicContact CD1-CG1 4.23Å; L294-V312 HydrophobicContact CD1-CG2 4.33Å; L294-H315 HydrophobicContact CD1-CB 4.19Å; L294-W317 HydrophobicContact CD2-CE3 3.67Å; L294-W317 HydrophobicContact CD2-CZ3 3.76Å; L294-V318 HydrophobicContact CD2-CG2 3.76Å
295	V	98.9	Very high	98	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-42.8	-178.2	174.5	0	0	0	0	110.3	C254 Y255 L281 F283 A291 K297 L298 L299	C254-V295 HydrophobicContact CB-CG2 3.91Å; Y255-V295 HydrophobicContact CD2-CG1 4.49Å; L281-V295 HydrophobicContact CD1-CG1 4.48Å; L281-V295 HydrophobicContact CD2-CG1 4.08Å; F283-V295 HydrophobicContact CE1-CB 3.98Å; F283-V295 HydrophobicContact CE1-CG1 3.9Å; F283-V295 HydrophobicContact CE1-CG2 4.48Å; F283-V295 HydrophobicContact CZ-CB 3.86Å; F283-V295 HydrophobicContact CZ-CG1 3.77Å; A291-V295 WeakPolarHBondContact O-CG2 3.49Å; A291-V295 PolarHBondContact O-N 3.42Å; V295-K297 VanDerWaalsContact C-N 3.29Å; V295-K297 PolarHBondContact O-N 3.44Å; V295-L298 PolarHBondContact O-N 3.35Å; V295-L298 VanDerWaalsContact O-N 3.16Å; V295-L299 HydrophobicContact CG1-CD1 3.62Å; V295-L299 HydrophobicContact CG1-CG 4.12Å; V295-L299 WeakPolarHBondContact O-CB 3.4Å; V295-L299 PolarHBondContact O-N 2.99Å
296	S	98.8	Very high	98.2	Very high	44 Å²	44	47.9 Å²	47.9	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-67.2	-27.6	179.5	-57.7	0	0	0	0	113.3	F283 R292 D293 L294 R300	F283-S296 WeakPolarHBondContact CE2-OG 3.48Å; R292-S296 WeakPolarHBondContact O-CB 3.07Å; R292-S296 PolarHBondContact O-N 2.52Å; R292-S296 PolarHBondContact O-OG 2.83Å; D293-S296 PolarHBondContact O-N 2.97Å; L294-S296 VanDerWaalsContact C-N 3.33Å; L294-S296 PolarHBondContact O-N 3.17Å; S296-R300 WeakPolarHBondContact O-CD 3.32Å
297	K	98.8	Very high	98.4	Very high	78 Å²	78	45.8 Å²	45.8	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-80.3	-23.2	173.7	-72.7	167.6	171.5	159.2	0	113.2	D293 L294 V295 R300 R306 L307 H315	D293-K297 WeakPolarHBondContact O-CB 3.42Å; D293-K297 WeakPolarHBondContact O-CD 3.36Å; D293-K297 VanDerWaalsContact O-CG 3.26Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; D293-K297 PolarHBondContact O-N 3.26Å; D293-K297 WeakPolarHBondContact OD1-CE 3.48Å; D293-K297 IonicContact OD1-NZ 2.76Å; D293-K297 PolarHBondContact OD1-NZ 3.23Å; D293-K297 IonicContact OD2-NZ 3.68Å; D293-K297 PolarHBondContact OD2-NZ 3.09Å; L294-K297 PolarHBondContact O-N 3.5Å; V295-K297 VanDerWaalsContact C-N 3.29Å; V295-K297 PolarHBondContact O-N 3.44Å; K297-R300 WeakPolarHBondContact O-CG 3.48Å; K297-R306 WeakPolarHBondContact O-CA 3.36Å; K297-L307 HydrophobicContact CB-CB 4.04Å; K297-L307 HydrophobicContact CB-CD2 4.24Å; K297-L307 PolarHBondContact O-N 3.47Å; K297-H315 PolarHBondContact NZ-NE2 3.26Å
298	L	98.8	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-87.1	-45.5	174.3	-74.5	167.7	0	0	0	112.3	L247 I250 L294 V295 R300 R306 L307 V312	L247-L298 HydrophobicContact CB-CD2 4.21Å; L247-L298 HydrophobicContact CD2-CD2 4.29Å; I250-L298 HydrophobicContact CB-CD1 4.39Å; I250-L298 HydrophobicContact CG2-CD1 3.84Å; L294-L298 HydrophobicContact CD1-CD1 3.89Å; L294-L298 HydrophobicContact CD1-CG 4.37Å; L294-L298 HydrophobicContact CG-CD1 4.08Å; L294-L298 PolarHBondContact O-N 2.82Å; L294-L298 VanDerWaalsContact O-N 3.1Å; V295-L298 PolarHBondContact O-N 3.35Å; V295-L298 VanDerWaalsContact O-N 3.16Å; L298-R300 PolarHBondContact O-N 3.14Å; L298-R306 WeakPolarHBondContact O-CD 3.32Å; L298-R306 VanDerWaalsContact O-CG 3.3Å; L298-R306 WeakPolarHBondContact O-CG 3.35Å; L298-L307 HydrophobicContact CD2-CB 4Å; L298-L307 HydrophobicContact CG-CB 4.3Å; L298-V312 HydrophobicContact CD1-CG2 4.24Å; L298-V312 HydrophobicContact CD2-CG2 3.78Å; L298-V312 HydrophobicContact CG-CG2 4.38Å
299	L	98.7	Very high	98.4	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-80.2	68.8	177.8	-61.2	-176	0	0	0	110.5	W248 V252 P263 F264 V279 L281 V295	W248-L299 HydrophobicContact CD2-CD2 3.68Å; W248-L299 HydrophobicContact CE3-CB 4.44Å; W248-L299 HydrophobicContact CE3-CD2 3.7Å; W248-L299 HydrophobicContact CG-CD2 4.23Å; W248-L299 HydrophobicContact CH2-CD2 4.19Å; W248-L299 HydrophobicContact CZ2-CD2 4.17Å; W248-L299 HydrophobicContact CZ3-CB 4.11Å; W248-L299 HydrophobicContact CZ3-CD2 3.97Å; W248-L299 WeakPolarHBondContact O-CD2 3.37Å; V252-L299 HydrophobicContact CG2-CD2 3.85Å; P263-L299 HydrophobicContact CG-CD1 4.16Å; F264-L299 HydrophobicContact CE2-CD1 4.12Å; F264-L299 HydrophobicContact CE2-CD2 4.5Å; F264-L299 HydrophobicContact CZ-CD1 4Å; V279-L299 HydrophobicContact CG1-CB 4.37Å; V279-L299 WeakPolarHBondContact CG1-O 3.36Å; L281-L299 HydrophobicContact CD1-CD1 3.89Å; L281-L299 HydrophobicContact CD2-CB 4.33Å; L281-L299 HydrophobicContact CD2-CD1 4.05Å; V295-L299 HydrophobicContact CG1-CD1 3.62Å; V295-L299 HydrophobicContact CG1-CG 4.12Å; V295-L299 WeakPolarHBondContact O-CB 3.4Å; V295-L299 PolarHBondContact O-N 2.99Å
300	R	98.6	Very high	98.4	Very high	120 Å²	120	46.3 Å²	46.3	45%	0.453	25%	0.249	S	C	.	.			trans	-106.3	136	171.1	-55.2	-64.4	-66.2	175.4	-2.8	109.5	S296 K297 L298 M305 R306	S296-R300 WeakPolarHBondContact O-CD 3.32Å; K297-R300 WeakPolarHBondContact O-CG 3.48Å; L298-R300 PolarHBondContact O-N 3.14Å; R300-M305 HydrophobicContact CB-CB 4.01Å; R300-M305 HydrophobicContact CG-CB 4.22Å; R300-R306 HydrophobicContact CB-CG 4Å; R300-R306 PolarHBondContact O-NE 2.98Å; R300-R306 PolarHBondContact O-NH2 3.39Å
301	H	97.9	Very high	98.4	Very high	68 Å²	68	47.3 Å²	47.3	32%	0.315	25%	0.251	S	S	.	.	S	Bend	trans	-55.3	-59.4	177.2	-176.4	-86.4	0	0	0	111	E237 T277 V279 P303 R306	E237-H301 IonicContact OE1-CD2 2.81Å; E237-H301 IonicContact OE1-CE1 4Å; E237-H301 PolarHBondContact OE1-CE1 3Å; E237-H301 IonicContact OE1-NE2 2.71Å; E237-H301 PolarHBondContact OE1-NE2 2.79Å; E237-H301 IonicContact OE2-CE1 3.84Å; E237-H301 IonicContact OE2-NE2 2.85Å; T277-H301 PolarHBondContact O-CD2 2.92Å; V279-H301 HydrophobicContact CG2-CB 3.78Å; H301-P303 WeakPolarHBondContact O-CD 3.42Å; H301-R306 PolarHBondContact O-NH2 3.02Å; H301-R306 VanDerWaalsContact O-NH2 3.09Å
302	S	97.6	Very high	98.4	Very high	50 Å²	50	47.3 Å²	47.3	35%	0.35	25%	0.251	S	S	.	.	S	Bend	trans	-66.8	121.2	173.6	-177.1	0	0	0	0	111.5	S304 M305	S302-S304 PolarHBondContact O-N 3.09Å; S302-S304 PolarHBondContact OG-OG 3.3Å; S302-M305 PolarHBondContact O-N 2.86Å; S302-M305 VanDerWaalsContact O-N 3.08Å
303	P	97.5	Very high	98.4	Very high	31 Å²	31	44.9 Å²	44.9	20%	0.201	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.8	-26.7	-179.3	-23	33.2	0	0	0	114.3	E234 K244 H301 M305 R306	E234-P303 HydrophobicContact CG-CG 4.28Å; K244-P303 HydrophobicContact CB-CB 3.77Å; K244-P303 HydrophobicContact CG-CB 4.33Å; H301-P303 WeakPolarHBondContact O-CD 3.42Å; P303-M305 VanDerWaalsContact C-N 3.25Å; P303-M305 PolarHBondContact O-N 2.94Å; P303-R306 PolarHBondContact O-N 2.99Å
304	S	97.3	Very high	98.4	Very high	92 Å²	92	46 Å²	46	64%	0.643	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-70.4	-20.5	177.6	60.3	0	0	0	0	113.6	S302	S302-S304 PolarHBondContact O-N 3.09Å; S302-S304 PolarHBondContact OG-OG 3.3Å
305	M	98.1	Very high	98.4	Very high	120 Å²	120	46.3 Å²	46.3	59%	0.591	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-91.6	-5.2	-178.9	-62.7	-59.1	-61.4	0	0	113.3	R300 S302 P303	R300-M305 HydrophobicContact CB-CB 4.01Å; R300-M305 HydrophobicContact CG-CB 4.22Å; S302-M305 PolarHBondContact O-N 2.86Å; S302-M305 VanDerWaalsContact O-N 3.08Å; P303-M305 VanDerWaalsContact C-N 3.25Å; P303-M305 PolarHBondContact O-N 2.94Å
306	R	98.7	Very high	98.4	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.019	28%	0.279	C	S	.	.	S	Bend	trans	-72.5	137.9	-178.6	-59.4	-175	-173.9	141.4	10.2	110.7	E234 K244 L247 K297 L298 R300 H301 P303 P308	E234-R306 IonicContact OE1-CZ 3.88Å; E234-R306 IonicContact OE1-NH1 2.81Å; E234-R306 PolarHBondContact OE1-NH1 3.34Å; E234-R306 IonicContact OE1-NH2 3.65Å; E234-R306 PolarHBondContact OE1-NH2 2.77Å; E234-R306 IonicContact OE2-CZ 3.76Å; E234-R306 IonicContact OE2-NH1 3.78Å; E234-R306 IonicContact OE2-NH2 3.22Å; E234-R306 PolarHBondContact OE2-NH2 2.76Å; K244-R306 PolarHBondContact O-NH1 2.88Å; L247-R306 HydrophobicContact CB-CB 4.11Å; L247-R306 HydrophobicContact CD1-CB 3.73Å; K297-R306 WeakPolarHBondContact O-CA 3.36Å; L298-R306 WeakPolarHBondContact O-CD 3.32Å; L298-R306 VanDerWaalsContact O-CG 3.3Å; L298-R306 WeakPolarHBondContact O-CG 3.35Å; R300-R306 HydrophobicContact CB-CG 4Å; R300-R306 PolarHBondContact O-NE 2.98Å; R300-R306 PolarHBondContact O-NH2 3.39Å; H301-R306 PolarHBondContact O-NH2 3.02Å; H301-R306 VanDerWaalsContact O-NH2 3.09Å; P303-R306 PolarHBondContact O-N 2.99Å; R306-P308 WeakPolarHBondContact O-CD 3.37Å
307	L	98.6	Very high	98.4	Very high	29 Å²	29	49.1 Å²	49.1	15%	0.152	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-56.6	123.3	179.3	-167.6	66.2	0	0	0	111.4	L247 L294 K297 L298 V312	L247-L307 VanDerWaalsContact CD2-O 3.29Å; L247-L307 WeakPolarHBondContact CD2-O 3.47Å; L294-L307 HydrophobicContact CD1-CD2 3.66Å; K297-L307 HydrophobicContact CB-CB 4.04Å; K297-L307 HydrophobicContact CB-CD2 4.24Å; K297-L307 PolarHBondContact O-N 3.47Å; L298-L307 HydrophobicContact CD2-CB 4Å; L298-L307 HydrophobicContact CG-CB 4.3Å; L307-V312 HydrophobicContact CD2-CG2 4.06Å; L307-V312 HydrophobicContact CG-CG2 4.35Å
308	P	98.4	Very high	98.4	Very high	73 Å²	73	45.4 Å²	45.4	47%	0.474	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-62.6	151.7	177.8	-24.5	35.2	0	0	0	113.1	R306 Q310 S311 V312	R306-P308 WeakPolarHBondContact O-CD 3.37Å; P308-Q310 VanDerWaalsContact C-N 3.32Å; P308-Q310 PolarHBondContact O-N 3.12Å; P308-S311 CarbonylContact O-C 3.51Å; P308-S311 WeakPolarHBondContact O-CA 3.36Å; P308-S311 VanDerWaalsContact O-CB 3.31Å; P308-S311 WeakPolarHBondContact O-CB 3.14Å; P308-S311 PolarHBondContact O-N 2.89Å; P308-V312 PolarHBondContact O-N 3.3Å
309	L	98.4	Very high	98.4	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-52.7	-45.2	-178.1	-64.6	172.1	0	0	0	113.2	A176 L179 Q180 L247 I250 S311 V312 I313	A176-L309 HydrophobicContact CB-CD2 4.23Å; L179-L309 HydrophobicContact CB-CD1 3.83Å; L179-L309 HydrophobicContact CB-CD2 4.09Å; Q180-L309 HydrophobicContact CB-CB 4.24Å; Q180-L309 HydrophobicContact CB-CD1 4.01Å; L247-L309 HydrophobicContact CD2-CD2 3.45Å; L247-L309 VanDerWaalsContact CD2-CD2 3.45Å; L247-L309 HydrophobicContact CD2-CG 3.66Å; I250-L309 HydrophobicContact CD1-CD2 3.31Å; L309-S311 PolarHBondContact O-N 3.18Å; L309-V312 WeakPolarHBondContact O-CB 3.26Å; L309-V312 PolarHBondContact O-N 2.63Å; L309-I313 PolarHBondContact O-N 3.3Å; L309-I313 VanDerWaalsContact O-N 3.09Å
310	Q	98	Very high	98.4	Very high	85 Å²	85	54.3 Å²	54.3	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-31.4	176.8	-171.6	61.1	81.2	0	0	112.7	P308 N314	P308-Q310 VanDerWaalsContact C-N 3.32Å; P308-Q310 PolarHBondContact O-N 3.12Å; Q310-N314 PolarHBondContact NE2-ND2 2.81Å; Q310-N314 WeakPolarHBondContact O-CB 3.43Å; Q310-N314 PolarHBondContact O-N 2.86Å; Q310-N314 VanDerWaalsContact O-N 3.17Å; Q310-N314 PolarHBondContact O-ND2 3.24Å; Q310-N314 VanDerWaalsContact O-ND2 3.15Å
311	S	98.6	Very high	98.4	Very high	50 Å²	50	50.5 Å²	50.5	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-82.3	-20.2	176.3	-55.1	0	0	0	0	113.1	P308 L309 N314 H315	P308-S311 CarbonylContact O-C 3.51Å; P308-S311 WeakPolarHBondContact O-CA 3.36Å; P308-S311 VanDerWaalsContact O-CB 3.31Å; P308-S311 WeakPolarHBondContact O-CB 3.14Å; P308-S311 PolarHBondContact O-N 2.89Å; L309-S311 PolarHBondContact O-N 3.18Å; S311-N314 CarbonylContact O-C 3.53Å; S311-H315 PolarHBondContact O-N 2.81Å
312	V	98.7	Very high	98.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.5	-50.9	165.8	177.3	0	0	0	0	109.6	M172 A176 L294 L298 L307 P308 L309 N314 H315 V318	M172-V312 HydrophobicContact CB-CG1 4.43Å; A176-V312 HydrophobicContact CB-CB 4.05Å; A176-V312 HydrophobicContact CB-CG1 3.93Å; L294-V312 HydrophobicContact CD1-CG1 4.23Å; L294-V312 HydrophobicContact CD1-CG2 4.33Å; L298-V312 HydrophobicContact CD1-CG2 4.24Å; L298-V312 HydrophobicContact CD2-CG2 3.78Å; L298-V312 HydrophobicContact CG-CG2 4.38Å; L307-V312 HydrophobicContact CD2-CG2 4.06Å; L307-V312 HydrophobicContact CG-CG2 4.35Å; P308-V312 PolarHBondContact O-N 3.3Å; L309-V312 WeakPolarHBondContact O-CB 3.26Å; L309-V312 PolarHBondContact O-N 2.63Å; V312-N314 PolarHBondContact O-N 3.2Å; V312-H315 VanDerWaalsContact O-CB 3.25Å; V312-H315 WeakPolarHBondContact O-CB 3.38Å; V312-H315 PolarHBondContact O-N 3.44Å; V312-V318 WeakPolarHBondContact O-CG2 3.39Å
313	I	98.4	Very high	98.4	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-35.4	176.8	-63.5	167.9	0	0	0	111.5	E173 A176 D177 L309 K319	E173-I313 HydrophobicContact CG-CG1 4.49Å; E173-I313 HydrophobicContact CG-CG2 4.18Å; A176-I313 HydrophobicContact CB-CD1 4.26Å; A176-I313 HydrophobicContact CB-CG1 3.75Å; D177-I313 HydrophobicContact CB-CD1 4.03Å; L309-I313 PolarHBondContact O-N 3.3Å; L309-I313 VanDerWaalsContact O-N 3.09Å; I313-K319 WeakPolarHBondContact O-CE 3.48Å
314	N	98.6	Very high	98.4	Very high	87 Å²	87	52.9 Å²	52.9	47%	0.465	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8.1	179.3	-66.5	-31.1	0	0	0	114.3	Q310 S311 V312 K319	Q310-N314 PolarHBondContact NE2-ND2 2.81Å; Q310-N314 WeakPolarHBondContact O-CB 3.43Å; Q310-N314 PolarHBondContact O-N 2.86Å; Q310-N314 VanDerWaalsContact O-N 3.17Å; Q310-N314 PolarHBondContact O-ND2 3.24Å; Q310-N314 VanDerWaalsContact O-ND2 3.15Å; S311-N314 CarbonylContact O-C 3.53Å; V312-N314 PolarHBondContact O-N 3.2Å; N314-K319 WeakPolarHBondContact OD1-CE 3.49Å; N314-K319 PolarHBondContact OD1-NZ 3.06Å
315	H	98.9	Very high	98.3	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.037	28%	0.279	C	S	.	.			trans	-66.1	136.3	178.8	-158.9	-100.9	0	0	0	110.5	D293 L294 K297 S311 V312 W317 V318 K319	D293-H315 IonicContact OD2-CE1 2.91Å; D293-H315 PolarHBondContact OD2-CE1 3.42Å; D293-H315 IonicContact OD2-NE2 3.22Å; D293-H315 PolarHBondContact OD2-NE2 2.88Å; D293-H315 VanDerWaalsContact OD2-NE2 3.13Å; L294-H315 HydrophobicContact CD1-CB 4.19Å; K297-H315 PolarHBondContact NZ-NE2 3.26Å; S311-H315 PolarHBondContact O-N 2.81Å; V312-H315 VanDerWaalsContact O-CB 3.25Å; V312-H315 WeakPolarHBondContact O-CB 3.38Å; V312-H315 PolarHBondContact O-N 3.44Å; H315-W317 VanDerWaalsContact C-N 3.27Å; H315-W317 PolarHBondContact O-N 3.48Å; H315-V318 HydrophobicContact CB-CB 4.22Å; H315-V318 HydrophobicContact CB-CG2 4.02Å; H315-V318 PolarHBondContact O-N 2.91Å; H315-K319 PolarHBondContact O-N 3.2Å
316	P	98.8	Very high	97.9	Very high	90 Å²	90	52.3 Å²	52.3	58%	0.584	28%	0.278	S	S	*	.	H	α-helix	trans	-55.1	-40.5	-176.7	-29	35.7	0	0	0	113.9	S320	P316-S320 WeakPolarHBondContact O-CB 3.5Å; P316-S320 PolarHBondContact O-N 3.5Å; P316-S320 PolarHBondContact O-OG 3.07Å
317	W	98.8	Very high	97.3	Very high	13 Å²	13	53.6 Å²	53.6	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-39.8	174.6	-179.8	82.4	0	0	0	113.2	D165 T168 A169 L258 S288 G290 A291 L294 H315 N321	D165-W317 HydrophobicContact CB-CZ2 3.81Å; D165-W317 PolarHBondContact OD2-NE1 3.1Å; T168-W317 HydrophobicContact CG2-CH2 3.95Å; A169-W317 HydrophobicContact CB-CE3 4.19Å; A169-W317 HydrophobicContact CB-CH2 4.02Å; A169-W317 HydrophobicContact CB-CZ2 4.48Å; A169-W317 HydrophobicContact CB-CZ3 3.85Å; L258-W317 HydrophobicContact CD1-CH2 4.23Å; L258-W317 HydrophobicContact CD1-CZ2 4.26Å; L258-W317 HydrophobicContact CD2-CH2 4.48Å; L258-W317 HydrophobicContact CD2-CZ2 4.24Å; S288-W317 PolarHBondContact OG-NE1 3.3Å; G290-W317 VanDerWaalsContact C-CG 3.45Å; G290-W317 WeakPolarHBondContact O-CB 3.28Å; A291-W317 HydrophobicContact CB-CD2 4.15Å; A291-W317 HydrophobicContact CB-CH2 4.28Å; A291-W317 HydrophobicContact CB-CZ2 3.67Å; L294-W317 HydrophobicContact CD2-CE3 3.67Å; L294-W317 HydrophobicContact CD2-CZ3 3.76Å; H315-W317 VanDerWaalsContact C-N 3.27Å; H315-W317 PolarHBondContact O-N 3.48Å; W317-N321 VanDerWaalsContact CD1-ND2 3.25Å; W317-N321 PolarHBondContact NE1-ND2 3.4Å; W317-N321 WeakPolarHBondContact O-CB 3.43Å; W317-N321 PolarHBondContact O-N 3.17Å; W317-N321 VanDerWaalsContact O-N 3.14Å; W317-N321 PolarHBondContact O-ND2 3.27Å
318	V	98.8	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-48.1	176.9	175.1	0	0	0	0	110.3	M172 E173 L294 V312 H315 S320 N321 S322	M172-V318 HydrophobicContact CB-CG2 4.43Å; E173-V318 HydrophobicContact CB-CG1 3.93Å; E173-V318 HydrophobicContact CG-CG1 4.39Å; L294-V318 HydrophobicContact CD2-CG2 3.76Å; V312-V318 WeakPolarHBondContact O-CG2 3.39Å; H315-V318 HydrophobicContact CB-CB 4.22Å; H315-V318 HydrophobicContact CB-CG2 4.02Å; H315-V318 PolarHBondContact O-N 2.91Å; V318-S320 VanDerWaalsContact C-N 3.27Å; V318-S320 PolarHBondContact O-N 2.9Å; V318-N321 PolarHBondContact O-N 2.86Å; V318-S322 WeakPolarHBondContact O-CB 3.34Å; V318-S322 PolarHBondContact O-N 3.13Å
319	K	98.6	Very high	95.7	Very high	114 Å²	114	61.4 Å²	61.4	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-60.5	-33.3	177.9	-72	-62.4	-171.5	-168.3	0	113.7	I313 N314 H315	I313-K319 WeakPolarHBondContact O-CE 3.48Å; N314-K319 WeakPolarHBondContact OD1-CE 3.49Å; N314-K319 PolarHBondContact OD1-NZ 3.06Å; H315-K319 PolarHBondContact O-N 3.2Å
320	S	98.4	Very high	94.6	Very high	76 Å²	76	69.1 Å²	69.1	53%	0.531	37%	0.367	S	S	.	.	H	α-helix	trans	-76.4	-40.6	-179.8	-55.4	0	0	0	0	112.2	P316 V318 R323	P316-S320 WeakPolarHBondContact O-CB 3.5Å; P316-S320 PolarHBondContact O-N 3.5Å; P316-S320 PolarHBondContact O-OG 3.07Å; V318-S320 VanDerWaalsContact C-N 3.27Å; V318-S320 PolarHBondContact O-N 2.9Å; S320-R323 PolarHBondContact O-NH1 2.93Å; S320-R323 PolarHBondContact O-NH2 3.5Å
321	N	98.7	Very high	92.7	Very high	41 Å²	41	68.8 Å²	68.8	22%	0.219	38%	0.379	C	S	.	.	H	α-helix	trans	-99.3	-27.2	-170.1	-68.8	-70.3	0	0	0	114.5	D165 Q166 A169 W317 V318	D165-N321 HydrophobicContact CB-CB 4.46Å; Q166-N321 WeakPolarHBondContact CA-O 3.1Å; Q166-N321 WeakPolarHBondContact CG-O 3.49Å; A169-N321 HydrophobicContact CB-CB 3.51Å; W317-N321 VanDerWaalsContact CD1-ND2 3.25Å; W317-N321 PolarHBondContact NE1-ND2 3.4Å; W317-N321 WeakPolarHBondContact O-CB 3.43Å; W317-N321 PolarHBondContact O-N 3.17Å; W317-N321 VanDerWaalsContact O-N 3.14Å; W317-N321 PolarHBondContact O-ND2 3.27Å; V318-N321 PolarHBondContact O-N 2.86Å
322	S	98.6	Very high	90.4	Very high	13 Å²	13	71.5 Å²	71.5	9%	0.091	40%	0.395	C	S	.	.			trans	-61.9	142.9	-177.8	179.7	0	0	0	0	112.4	E173 V318 R324	E173-S322 VanDerWaalsContact OE2-CB 3.23Å; E173-S322 WeakPolarHBondContact OE2-CB 3.29Å; E173-S322 PolarHBondContact OE2-OG 3.13Å; V318-S322 WeakPolarHBondContact O-CB 3.34Å; V318-S322 PolarHBondContact O-N 3.13Å; S322-R324 PolarHBondContact OG-N 3.09Å
323	R	97.9	Very high	87.8	Confident	140 Å²	140	80.7 Å²	80.7	53%	0.528	44%	0.435	S	S	.	.			trans	-128.8	35	172.4	-57.7	-64	176.3	-105.7	0.2	110.8	Q166 T170 S320 V325	Q166-R323 HydrophobicContact CG-CB 4.49Å; Q166-R323 HydrophobicContact CG-CG 3.63Å; T170-R323 PolarHBondContact OG1-N 3.42Å; S320-R323 PolarHBondContact O-NH1 2.93Å; S320-R323 PolarHBondContact O-NH2 3.5Å; R323-V325 PolarHBondContact O-N 3.01Å
324	R	97.6	Very high	85	Confident	45 Å²	45	89.2 Å²	89.2	17%	0.17	47%	0.472	C	S	.	.			trans	-56.2	131.4	-177.9	-172.3	179.4	-177.8	-152.3	1	112.1	H125 N127 T170 E173 E174 D177 S322	H125-R324 PolarHBondContact CE1-NH2 2.75Å; N127-R324 PolarHBondContact OD1-NH2 3.41Å; T170-R324 HydrophobicContact CG2-CB 4.16Å; E173-R324 VanDerWaalsContact CD-CD 3.46Å; E173-R324 VanDerWaalsContact OE1-CD 3.26Å; E173-R324 WeakPolarHBondContact OE1-CD 3.44Å; E173-R324 IonicContact OE1-NH1 3.56Å; E174-R324 HydrophobicContact CG-CG 3.73Å; D177-R324 IonicContact OD2-CZ 2.71Å; D177-R324 IonicContact OD2-NH1 2.83Å; D177-R324 PolarHBondContact OD2-NH1 2.89Å; D177-R324 IonicContact OD2-NH2 3.71Å; D177-R324 PolarHBondContact OD2-NH2 2.68Å; S322-R324 PolarHBondContact OG-N 3.09Å
325	V	94.2	Very high	82.8	Confident	93 Å²	93	94.6 Å²	94.6	56%	0.564	51%	0.511	S	S	*	.			trans	-126.1	113.2	176.1	179.6	0	0	0	0	109.4	R323	R323-V325 PolarHBondContact O-N 3.01Å
326	L	91.2	Very high	82	Confident	108 Å²	108	98.9 Å²	98.9	57%	0.565	54%	0.535	S	S	*	.			trans	-62.9	139.9	178.1	-65.8	179	0	0	0	111.3	P126	P126-L326 HydrophobicContact CG-CD2 4.14Å
327	P	84.5	Confident	81.1	Confident	31 Å²	31	99.4 Å²	99.4	20%	0.201	53%	0.532	C	S	.	.			trans	-59.8	146.1	172.5	-22.2	32.5	0	0	0	112.7	P126 E204 V329	P126-P327 HydrophobicContact CB-CG 3.92Å; E204-P327 HydrophobicContact CG-CG 4.45Å; P327-V329 PolarHBondContact O-N 3.42Å; P327-V329 VanDerWaalsContact O-N 3.11Å
328	V	82.3	Confident	80.1	Confident	142 Å²	142	104.2 Å²	104.2	86%	0.861	56%	0.559	S	S	*	*			trans	-62.3	113.9	170.4	-178.9	0	0	0	0	108.6
329	V	82.2	Confident	79	Confident	125 Å²	125	110.3 Å²	110.3	76%	0.758	59%	0.592	S	S	*	*			trans	-81.3	130.9	175	-175.9	0	0	0	0	108.7	P327 A331	P327-V329 PolarHBondContact O-N 3.42Å; P327-V329 VanDerWaalsContact O-N 3.11Å; V329-A331 PolarHBondContact O-N 2.62Å
330	F	74.1	Confident	77.8	Confident	175 Å²	175	110.1 Å²	110.1	77%	0.768	60%	0.598	S	S	*	*			trans	-68.1	103.1	172.4	-169.1	-90.2	0	0	0	109.3	P332	F330-P332 WeakPolarHBondContact O-CD 3.34Å
331	A	58.1	Low	76.4	Confident	78 Å²	78	112.3 Å²	112.3	65%	0.645	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-63.6	120	166.8	0	0	0	0	0	108	V329 K333	V329-A331 PolarHBondContact O-N 2.62Å; A331-K333 PolarHBondContact O-N 3.4Å
332	P	51.5	Low	74.8	Confident	106 Å²	106	117.4 Å²	117.4	69%	0.688	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-59.2	130.5	172	25.8	-32.4	0	0	0	107.8	F330 K334	F330-P332 WeakPolarHBondContact O-CD 3.34Å; P332-K334 PolarHBondContact O-N 3.48Å; P332-K334 VanDerWaalsContact O-N 3.13Å
333	K	43.1	Very low	73	Confident	193 Å²	193	125.5 Å²	125.5	84%	0.839	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-53.1	124.7	165	-70.9	-173.5	176.1	-174.8	0	106.5	A331	A331-K333 PolarHBondContact O-N 3.4Å
334	K	39.3	Very low	70.9	Confident	196 Å²	196	124.3 Å²	124.3	85%	0.852	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-56.1	137.6	169.7	-73.2	-173.8	176.2	-179	0	107.5	P332	P332-K334 PolarHBondContact O-N 3.48Å; P332-K334 VanDerWaalsContact O-N 3.13Å
335	P	52.7	Low	68.5	Low	199 Å²	199	131.5 Å²	131.5	100%	1.292	73%	0.73	S	S	*	*			trans	-61.3	0	177.4	28.9	-35.6	0	0	0	111.3

Retrieved 335 of 335 residues in 1313.5 ms (Link to these results)

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